4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine

C12H13N7O — CID 141196960

IUPAC4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(NCc3ccno3)n2)n[nH]1
InChIInChI=1S/C12H13N7O/c1-8-6-11(19-18-8)16-10-3-4-13-12(17-10)14-7-9-2-5-15-20-9/h2-6H,7H2,1H3,(H3,13,14,16,17,18,19)
InChIKeyFQJOJCDSHSSKMT-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.85
Rot. Bonds5

About 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine

4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 141196960) has the molecular formula C12H13N7O and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine
PubChem CID141196960
Molecular FormulaC12H13N7O
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(NCc3ccno3)n2)n[nH]1
InChIInChI=1S/C12H13N7O/c1-8-6-11(19-18-8)16-10-3-4-13-12(17-10)14-7-9-2-5-15-20-9/h2-6H,7H2,1H3,(H3,13,14,16,17,18,19)
InChIKeyFQJOJCDSHSSKMT-UHFFFAOYSA-N
XLogP1.85
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
CID 166627552
4-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 24774914
N-(2-amino-4-fluorophenyl)-4-[[[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]amino]methyl]benzamide
CID 166810140
4-N-[5-[2-(4-methoxy-2-methylphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 24775638
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 71058316
N-methyl-3-[2-[3-[[2-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrimidin-4-yl]amino]-1H-pyrazol-5-yl]ethyl]benzamide
CID 68875184
5-[[[4-[[5-[2-(4-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]amino]pyrimidin-2-yl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 24775734
4-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-N-[(3-pyrimidin-2-yl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 23642169
2-ethylsulfinyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 166810256
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 59758109
2,6-dimethyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106419057
N-(1,2-oxazol-5-ylmethyl)-2H-tetrazol-5-amine
CID 164651684

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine (CID 141196960) is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccnc(NCc3ccno3)n2)n[nH]1.
What is the InChIKey of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is FQJOJCDSHSSKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7O/c1-8-6-11(19-18-8)16-10-3-4-13-12(17-10)14-7-9-2-5-15-20-9/h2-6H,7H2,1H3,(H3,13,14,16,17,18,19).
What are the key properties of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine?
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 271.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 141196960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).