6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine

C13H19N7O — CID 50953239

IUPAC6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCC(CNc1cc(N2CCOCC2)ncn1)n1cncn1
InChIInChI=1S/C13H19N7O/c1-11(20-10-14-8-18-20)7-15-12-6-13(17-9-16-12)19-2-4-21-5-3-19/h6,8-11H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyXIJLJBRLCHYUNZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.58
Rot. Bonds5

About 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine

6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine (PubChem CID 50953239) has the molecular formula C13H19N7O and a molecular weight of 289.34 g/mol. Its IUPAC name is 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
PubChem CID50953239
Molecular FormulaC13H19N7O
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine
SMILESCC(CNc1cc(N2CCOCC2)ncn1)n1cncn1
InChIInChI=1S/C13H19N7O/c1-11(20-10-14-8-18-20)7-15-12-6-13(17-9-16-12)19-2-4-21-5-3-19/h6,8-11H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyXIJLJBRLCHYUNZ-UHFFFAOYSA-N
XLogP0.58
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine 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 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The IUPAC name of 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine (CID 50953239) is 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine is CC(CNc1cc(N2CCOCC2)ncn1)n1cncn1.
What is the InChIKey of 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
The InChIKey is XIJLJBRLCHYUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7O/c1-11(20-10-14-8-18-20)7-15-12-6-13(17-9-16-12)19-2-4-21-5-3-19/h6,8-11H,2-5,7H2,1H3,(H,15,16,17).
What are the key properties of 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine?
6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine has a molecular weight of 289.34 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrimidin-4-amine is sourced from PubChem (CID 50953239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).