N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane

C100H101N27O4 — CID 160943857

IUPACN-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane
SMILESC.Cc1cccc(C(=O)Cc2ccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc2)c1.Cc1cccc(C(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)c1.Cc1cccc(CC(=O)Cc2ccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc2)c1.Cc1cccc(NC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)c1
InChIInChI=1S/C26H26N6O.C25H24N6O.C24H24N8O.C24H23N7O.CH4/c1-17-3-2-4-19(13-17)15-22(33)14-18-5-9-21(10-6-18)28-26-27-12-11-24(30-26)29-25-16-23(31-32-25)20-7-8-20;1-16-3-2-4-19(13-16)22(32)14-17-5-9-20(10-6-17)27-25-26-12-11-23(29-25)28-24-15-21(30-31-24)18-7-8-18;1-15-4-2-5-17(12-15)27-24(33)28-19-7-3-6-18(13-19)26-23-25-11-10-21(30-23)29-22-14-20(31-32-22)16-8-9-16;1-15-4-2-5-17(12-15)23(32)26-18-6-3-7-19(13-18)27-24-25-11-10-21(29-24)28-22-14-20(30-31-22)16-8-9-16;/h2-6,9-13,16,20H,7-8,14-15H2,1H3,(H3,27,28,29,30,31,32);2-6,9-13,15,18H,7-8,14H2,1H3,(H3,26,27,28,29,30,31);2-7,10-14,16H,8-9H2,1H3,(H2,27,28,33)(H3,25,26,29,30,31,32);2-7,10-14,16H,8-9H2,1H3,(H,26,32)(H3,25,27,28,29,30,31);1H4
InChIKeySUVXLGMWMJGWBO-UHFFFAOYSA-N
MW1745.09 g/mol
LogP21.80
Rot. Bonds31

About N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane

N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane (PubChem CID 160943857) has the molecular formula C100H101N27O4 and a molecular weight of 1745.09 g/mol. Its IUPAC name is N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane.

Molecular Properties

Compound NameN-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane
PubChem CID160943857
Molecular FormulaC100H101N27O4
Molecular Weight1745.09 g/mol
Exact Mass1743.85
IUPAC NameN-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane
SMILESC.Cc1cccc(C(=O)Cc2ccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc2)c1.Cc1cccc(C(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)c1.Cc1cccc(CC(=O)Cc2ccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc2)c1.Cc1cccc(NC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)c1
InChIInChI=1S/C26H26N6O.C25H24N6O.C24H24N8O.C24H23N7O.CH4/c1-17-3-2-4-19(13-17)15-22(33)14-18-5-9-21(10-6-18)28-26-27-12-11-24(30-26)29-25-16-23(31-32-25)20-7-8-20;1-16-3-2-4-19(13-16)22(32)14-17-5-9-20(10-6-17)27-25-26-12-11-23(29-25)28-24-15-21(30-31-24)18-7-8-18;1-15-4-2-5-17(12-15)27-24(33)28-19-7-3-6-18(13-19)26-23-25-11-10-21(30-23)29-22-14-20(31-32-22)16-8-9-16;1-15-4-2-5-17(12-15)23(32)26-18-6-3-7-19(13-18)27-24-25-11-10-21(29-24)28-22-14-20(30-31-22)16-8-9-16;/h2-6,9-13,16,20H,7-8,14-15H2,1H3,(H3,27,28,29,30,31,32);2-6,9-13,15,18H,7-8,14H2,1H3,(H3,26,27,28,29,30,31);2-7,10-14,16H,8-9H2,1H3,(H2,27,28,33)(H3,25,26,29,30,31,32);2-7,10-14,16H,8-9H2,1H3,(H,26,32)(H3,25,27,28,29,30,31);1H4
InChIKeySUVXLGMWMJGWBO-UHFFFAOYSA-N
XLogP21.80
TPSA418.45 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds31
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001745.09
LogP ≤ 521.80
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Analyze N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane with MolForge

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Related Compounds

1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea
CID 163441820
1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)urea
CID 118888864
1-[4-[[4-[(5-cyclobutyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 118888845
3-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]propanoyl-methylazanium
CID 143702294
N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N'-[1-(furan-2-yl)ethyl]heptanediamide
CID 122190503
2-N-[4-(2-aminopropan-2-yl)phenyl]-4-N-(5-cyclopropyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 71058238
3-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-(2-piperidin-1-ylethyl)propanamide
CID 11612585
4-N-(5-cyclopentyl-1H-pyrazol-3-yl)-2-N-[4-[[3-(trifluoromethyl)anilino]methoxymethyl]phenyl]pyrimidine-2,4-diamine
CID 162616929
2-N-(4-bromophenyl)-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112901881
1-[4-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-1-methylcyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 166866982
1-[(1S,2S,4S,5S)-5-[[4-[(5-cyclopentyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]-2-bicyclo[2.2.1]heptanyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 166866983
2-N-(4-methylphenyl)-4-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112890029

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane?
The IUPAC name of N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane (CID 160943857) is N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane.
What is the SMILES notation for N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane?
The canonical SMILES for N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane is C.Cc1cccc(C(=O)Cc2ccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc2)c1.Cc1cccc(C(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)c1.Cc1cccc(CC(=O)Cc2ccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc2)c1.Cc1cccc(NC(=O)Nc2cccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)c2)c1.
What is the InChIKey of N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane?
The InChIKey is SUVXLGMWMJGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O.C25H24N6O.C24H24N8O.C24H23N7O.CH4/c1-17-3-2-4-19(13-17)15-22(33)14-18-5-9-21(10-6-18)28-26-27-12-11-24(30-26)29-25-16-23(31-32-25)20-7-8-20;1-16-3-2-4-19(13-16)22(32)14-17-5-9-20(10-6-17)27-25-26-12-11-23(29-25)28-24-15-21(30-31-24)18-7-8-18;1-15-4-2-5-17(12-15)27-24(33)28-19-7-3-6-18(13-19)26-23-25-11-10-21(30-23)29-22-14-20(31-32-22)16-8-9-16;1-15-4-2-5-17(12-15)23(32)26-18-6-3-7-19(13-18)27-24-25-11-10-21(29-24)28-22-14-20(30-31-22)16-8-9-16;/h2-6,9-13,16,20H,7-8,14-15H2,1H3,(H3,27,28,29,30,31,32);2-6,9-13,15,18H,7-8,14H2,1H3,(H3,26,27,28,29,30,31);2-7,10-14,16H,8-9H2,1H3,(H2,27,28,33)(H3,25,26,29,30,31,32);2-7,10-14,16H,8-9H2,1H3,(H,26,32)(H3,25,27,28,29,30,31);1H4.
What are the key properties of N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane?
N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane has a molecular weight of 1745.09 g/mol, XLogP of 21.80, 31 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-methylbenzamide;2-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-1-(3-methylphenyl)ethanone;1-[4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)propan-2-one;1-[3-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]phenyl]-3-(3-methylphenyl)urea;methane is sourced from PubChem (CID 160943857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).