N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol

C68H74N22O — CID 159378453

IUPACN-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCN(CCC#N)c1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C)c1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC(C)(C)C)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCC(O)CC4)n3)c2)cn1
InChIInChI=1S/C24H27N7O.C22H22N8.C22H25N7/c1-30-14-18(11-26-30)16-4-3-5-17(10-16)23-25-13-22(19-12-27-31(2)15-19)24(29-23)28-20-6-8-21(32)9-7-20;1-28(9-5-8-23)22-20(19-12-26-30(3)15-19)13-24-21(27-22)17-7-4-6-16(10-17)18-11-25-29(2)14-18;1-22(2,3)27-21-19(18-11-25-29(5)14-18)12-23-20(26-21)16-8-6-7-15(9-16)17-10-24-28(4)13-17/h3-5,10-15,20-21,32H,6-9H2,1-2H3,(H,25,28,29);4,6-7,10-15H,5,9H2,1-3H3;6-14H,1-5H3,(H,23,26,27)
InChIKeyLKPNPYAEXUWRFR-UHFFFAOYSA-N
MW1215.49 g/mol
LogP11.11
Rot. Bonds15

About N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol

N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 159378453) has the molecular formula C68H74N22O and a molecular weight of 1215.49 g/mol. Its IUPAC name is N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound NameN-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID159378453
Molecular FormulaC68H74N22O
Molecular Weight1215.49 g/mol
Exact Mass1214.64
IUPAC NameN-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESCN(CCC#N)c1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C)c1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC(C)(C)C)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCC(O)CC4)n3)c2)cn1
InChIInChI=1S/C24H27N7O.C22H22N8.C22H25N7/c1-30-14-18(11-26-30)16-4-3-5-17(10-16)23-25-13-22(19-12-27-31(2)15-19)24(29-23)28-20-6-8-21(32)9-7-20;1-28(9-5-8-23)22-20(19-12-26-30(3)15-19)13-24-21(27-22)17-7-4-6-16(10-17)18-11-25-29(2)14-18;1-22(2,3)27-21-19(18-11-25-29(5)14-18)12-23-20(26-21)16-8-6-7-15(9-16)17-10-24-28(4)13-17/h3-5,10-15,20-21,32H,6-9H2,1-2H3,(H,25,28,29);4,6-7,10-15H,5,9H2,1-3H3;6-14H,1-5H3,(H,23,26,27)
InChIKeyLKPNPYAEXUWRFR-UHFFFAOYSA-N
XLogP11.11
TPSA255.58 Ų
H-Bond Donors3
H-Bond Acceptors23
Rotatable Bonds15
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001215.49
LogP ≤ 511.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1023

Analyze N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 121357847
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 121347892
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
N-[(2-aminocyclopentyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121347814
4-N-[2-[3-(1-methylpyrazol-4-yl)phenyl]-5-(2-methyl-2H-pyrrol-5-yl)pyrimidin-4-yl]cyclohexane-1,4-diamine
CID 146245399
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
N-[(3,3-difluorocyclobutyl)methyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 121357744
N-[(1S,2R)-2-(methoxymethoxy)cyclohexyl]-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine
CID 145087074
2-methylidene-N'-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]butane-1,4-diamine
CID 135243537
(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
4-[[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]methyl]piperidin-2-one
CID 121357779
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

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 159378453) is N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol is CN(CCC#N)c1nc(-c2cccc(-c3cnn(C)c3)c2)ncc1-c1cnn(C)c1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC(C)(C)C)n3)c2)cn1.Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NC4CCC(O)CC4)n3)c2)cn1.
What is the InChIKey of N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is LKPNPYAEXUWRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O.C22H22N8.C22H25N7/c1-30-14-18(11-26-30)16-4-3-5-17(10-16)23-25-13-22(19-12-27-31(2)15-19)24(29-23)28-20-6-8-21(32)9-7-20;1-28(9-5-8-23)22-20(19-12-26-30(3)15-19)13-24-21(27-22)17-7-4-6-16(10-17)18-11-25-29(2)14-18;1-22(2,3)27-21-19(18-11-25-29(5)14-18)12-23-20(26-21)16-8-6-7-15(9-16)17-10-24-28(4)13-17/h3-5,10-15,20-21,32H,6-9H2,1-2H3,(H,25,28,29);4,6-7,10-15H,5,9H2,1-3H3;6-14H,1-5H3,(H,23,26,27).
What are the key properties of N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol?
N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 1215.49 g/mol, XLogP of 11.11, 15 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-amine;3-[methyl-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]propanenitrile;4-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 159378453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).