4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

C23H25N7O — CID 59757896

IUPAC4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nccc(Nc4cc(C5CCCCC5)[nH]n4)n3)on2)cc1
InChIInChI=1S/C23H25N7O/c1-3-7-16(8-4-1)19-14-22(29-28-19)26-21-11-12-24-23(27-21)25-15-18-13-20(30-31-18)17-9-5-2-6-10-17/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H3,24,25,26,27,28,29)
InChIKeySXQZODJKSPLQFK-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.26
Rot. Bonds7

About 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine

4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 59757896) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID59757896
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESc1ccc(-c2cc(CNc3nccc(Nc4cc(C5CCCCC5)[nH]n4)n3)on2)cc1
InChIInChI=1S/C23H25N7O/c1-3-7-16(8-4-1)19-14-22(29-28-19)26-21-11-12-24-23(27-21)25-15-18-13-20(30-31-18)17-9-5-2-6-10-17/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H3,24,25,26,27,28,29)
InChIKeySXQZODJKSPLQFK-UHFFFAOYSA-N
XLogP5.26
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N~4~-{5-[2-(3,5-Dimethoxyphenyl)ethyl]-1h-Pyrazol-3-Yl}-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]pyrimidine-2,4-Diamine
CID 24774737
N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N~4~-[5-(2-Phenylethyl)-1h-Pyrazol-3-Yl]pyrimidine-2,4-Diamine
CID 60154330
N~4~-{3-[2-(3,4-Dimethoxyphenyl)ethyl]-1h-Pyrazol-5-Yl}-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]pyrimidine-2,4-Diamine
CID 24775639
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 24774912
5-Bromo-N~2~-[(3-Methyl-1,2-Oxazol-5-Yl)methyl]-N~4~-[3-(2-Phenylethyl)-1h-Pyrazol-5-Yl]pyrimidine-2,4-Diamine
CID 56973550
5-bromo-4-N-(5-ethyl-1H-pyrazol-3-yl)-2-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 60154341
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-[5-(3-methoxypropyl)-1H-pyrazol-3-yl]pyrimidine-2,4-diamine
CID 60154344
3-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-5-amine
CID 134190173
3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190209
3-pentan-2-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 134190218
N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2,1-benzoxazole-3-carboxamide
CID 165415029
5-bromo-2-N-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 60154286

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 59757896) is 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is c1ccc(-c2cc(CNc3nccc(Nc4cc(C5CCCCC5)[nH]n4)n3)on2)cc1.
What is the InChIKey of 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is SXQZODJKSPLQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-3-7-16(8-4-1)19-14-22(29-28-19)26-21-11-12-24-23(27-21)25-15-18-13-20(30-31-18)17-9-5-2-6-10-17/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H3,24,25,26,27,28,29).
What are the key properties of 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine?
4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 415.50 g/mol, XLogP of 5.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-cyclohexyl-1H-pyrazol-3-yl)-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 59757896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).