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

C15H17N7O — CID 24774912

IUPAC2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(NCc3cc(C4CC4)no3)n2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-9-6-14(21-20-9)18-13-4-5-16-15(19-13)17-8-11-7-12(22-23-11)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyKRVGQLWKOWWNIE-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.73
Rot. Bonds6

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

2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (PubChem CID 24774912) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
PubChem CID24774912
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2ccnc(NCc3cc(C4CC4)no3)n2)n[nH]1
InChIInChI=1S/C15H17N7O/c1-9-6-14(21-20-9)18-13-4-5-16-15(19-13)17-8-11-7-12(22-23-11)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H3,16,17,18,19,20,21)
InChIKeyKRVGQLWKOWWNIE-UHFFFAOYSA-N
XLogP2.73
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine (CID 24774912) is 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccnc(NCc3cc(C4CC4)no3)n2)n[nH]1.
What is the InChIKey of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
The InChIKey is KRVGQLWKOWWNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c1-9-6-14(21-20-9)18-13-4-5-16-15(19-13)17-8-11-7-12(22-23-11)10-2-3-10/h4-7,10H,2-3,8H2,1H3,(H3,16,17,18,19,20,21).
What are the key properties of 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine?
2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine has a molecular weight of 311.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 24774912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).