N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

C75H86N22O4S2 — CID 159069753

IUPACN-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4C5CCCC4CC(CS(C)(=O)=O)C5)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCN(S(C)(=O)=O)C4)n3)c2)cn1
InChIInChI=1S/C29H35N7O2S.C24H28N8O2S.C22H23N7/c1-35-16-24(13-31-35)20-6-4-9-23(12-20)28-30-15-26(25-14-32-36(2)17-25)29(34-28)33-27-21-7-5-8-22(27)11-19(10-21)18-39(3,37)38;1-30-15-20(11-27-30)18-5-4-6-19(9-18)23-26-13-22(21-12-28-31(2)16-21)24(29-23)25-10-17-7-8-32(14-17)35(3,33)34;1-28-13-18(10-25-28)16-4-3-5-17(8-16)21-24-12-20(19-11-26-29(2)14-19)22(27-21)23-9-15-6-7-15/h4,6,9,12-17,19,21-22,27H,5,7-8,10-11,18H2,1-3H3,(H,30,33,34);4-6,9,11-13,15-17H,7-8,10,14H2,1-3H3,(H,25,26,29);3-5,8,10-15H,6-7,9H2,1-2H3,(H,23,24,27)
InChIKeyJZMLYEVJPDNPIY-UHFFFAOYSA-N
MW1423.80 g/mol
LogP11.00
Rot. Bonds20

About N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine

N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (PubChem CID 159069753) has the molecular formula C75H86N22O4S2 and a molecular weight of 1423.80 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
PubChem CID159069753
Molecular FormulaC75H86N22O4S2
Molecular Weight1423.80 g/mol
Exact Mass1422.66
IUPAC NameN-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4C5CCCC4CC(CS(C)(=O)=O)C5)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCN(S(C)(=O)=O)C4)n3)c2)cn1
InChIInChI=1S/C29H35N7O2S.C24H28N8O2S.C22H23N7/c1-35-16-24(13-31-35)20-6-4-9-23(12-20)28-30-15-26(25-14-32-36(2)17-25)29(34-28)33-27-21-7-5-8-22(27)11-19(10-21)18-39(3,37)38;1-30-15-20(11-27-30)18-5-4-6-19(9-18)23-26-13-22(21-12-28-31(2)16-21)24(29-23)25-10-17-7-8-32(14-17)35(3,33)34;1-28-13-18(10-25-28)16-4-3-5-17(8-16)21-24-12-20(19-11-26-29(2)14-19)22(27-21)23-9-15-6-7-15/h4,6,9,12-17,19,21-22,27H,5,7-8,10-11,18H2,1-3H3,(H,30,33,34);4-6,9,11-13,15-17H,7-8,10,14H2,1-3H3,(H,25,26,29);3-5,8,10-15H,6-7,9H2,1-2H3,(H,23,24,27)
InChIKeyJZMLYEVJPDNPIY-UHFFFAOYSA-N
XLogP11.00
TPSA291.87 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001423.80
LogP ≤ 511.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Analyze N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 121347892
4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-2-one
CID 121357779
N-[(2-aminocyclopentyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121347814
N-[(3,3-difluorocyclobutyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357744
5-(1-methylpyrazol-3-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-4-amine
CID 121357806
4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 121357847
N-[(3aR,4S,7aS)-2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-4-yl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121347728
N-[(1S,2R)-2-(methoxymethoxy)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 145087074
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(2S,7R)-8-oxabicyclo[5.1.0]octan-2-yl]pyrimidin-4-amine
CID 121357976
3-[3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propyl]-1,3-oxazolidin-2-one
CID 121357781
1-N-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]but-3-ene-1,3-diamine
CID 135243598
(1S,2S,6R)-2-fluoro-6-[3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propyl]cyclohexan-1-ol
CID 146245641

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine (CID 159069753) is N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4C5CCCC4CC(CS(C)(=O)=O)C5)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CC4)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCC4CCN(S(C)(=O)=O)C4)n3)c2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is JZMLYEVJPDNPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O2S.C24H28N8O2S.C22H23N7/c1-35-16-24(13-31-35)20-6-4-9-23(12-20)28-30-15-26(25-14-32-36(2)17-25)29(34-28)33-27-21-7-5-8-22(27)11-19(10-21)18-39(3,37)38;1-30-15-20(11-27-30)18-5-4-6-19(9-18)23-26-13-22(21-12-28-31(2)16-21)24(29-23)25-10-17-7-8-32(14-17)35(3,33)34;1-28-13-18(10-25-28)16-4-3-5-17(8-16)21-24-12-20(19-11-26-29(2)14-19)22(27-21)23-9-15-6-7-15/h4,6,9,12-17,19,21-22,27H,5,7-8,10-11,18H2,1-3H3,(H,30,33,34);4-6,9,11-13,15-17H,7-8,10,14H2,1-3H3,(H,25,26,29);3-5,8,10-15H,6-7,9H2,1-2H3,(H,23,24,27).
What are the key properties of N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine?
N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 1423.80 g/mol, XLogP of 11.00, 20 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[3-(methylsulfonylmethyl)-9-bicyclo[3.3.1]nonanyl]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 159069753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).