4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine

C15H16N8 — CID 167982141

IUPAC4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESc1cc(-c2n[nH]c(CNc3cc(NC4CC4)ncn3)n2)ccn1
InChIInChI=1S/C15H16N8/c1-2-11(1)20-13-7-12(18-9-19-13)17-8-14-21-15(23-22-14)10-3-5-16-6-4-10/h3-7,9,11H,1-2,8H2,(H,21,22,23)(H2,17,18,19,20)
InChIKeyOVLPVEOOFVSCPC-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.84
Rot. Bonds6

About 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine

4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 167982141) has the molecular formula C15H16N8 and a molecular weight of 308.35 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine
PubChem CID167982141
Molecular FormulaC15H16N8
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Name4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESc1cc(-c2n[nH]c(CNc3cc(NC4CC4)ncn3)n2)ccn1
InChIInChI=1S/C15H16N8/c1-2-11(1)20-13-7-12(18-9-19-13)17-8-14-21-15(23-22-14)10-3-5-16-6-4-10/h3-7,9,11H,1-2,8H2,(H,21,22,23)(H2,17,18,19,20)
InChIKeyOVLPVEOOFVSCPC-UHFFFAOYSA-N
XLogP1.84
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-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 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine (CID 167982141) is 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine is c1cc(-c2n[nH]c(CNc3cc(NC4CC4)ncn3)n2)ccn1.
What is the InChIKey of 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is OVLPVEOOFVSCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8/c1-2-11(1)20-13-7-12(18-9-19-13)17-8-14-21-15(23-22-14)10-3-5-16-6-4-10/h3-7,9,11H,1-2,8H2,(H,21,22,23)(H2,17,18,19,20).
What are the key properties of 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine?
4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 308.35 g/mol, XLogP of 1.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 167982141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).