N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine

C13H20N6 — CID 55059268

IUPACN-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(C(C)C)ncc1-n1cncn1
InChIInChI=1S/C13H20N6/c1-9(2)13-16-6-12(19-8-14-7-17-19)11(18-13)5-15-10(3)4/h6-10,15H,5H2,1-4H3
InChIKeySVOBSWKYDTWIAJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.68
Rot. Bonds5

About N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine

N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine (PubChem CID 55059268) has the molecular formula C13H20N6 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine
PubChem CID55059268
Molecular FormulaC13H20N6
Molecular Weight260.34 g/mol
Exact Mass260.17
IUPAC NameN-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(C(C)C)ncc1-n1cncn1
InChIInChI=1S/C13H20N6/c1-9(2)13-16-6-12(19-8-14-7-17-19)11(18-13)5-15-10(3)4/h6-10,15H,5H2,1-4H3
InChIKeySVOBSWKYDTWIAJ-UHFFFAOYSA-N
XLogP1.68
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-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 N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine (CID 55059268) is N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine is CC(C)NCc1nc(C(C)C)ncc1-n1cncn1.
What is the InChIKey of N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine?
The InChIKey is SVOBSWKYDTWIAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6/c1-9(2)13-16-6-12(19-8-14-7-17-19)11(18-13)5-15-10(3)4/h6-10,15H,5H2,1-4H3.
What are the key properties of N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine?
N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine has a molecular weight of 260.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-propan-2-yl-5-(1,2,4-triazol-1-yl)pyrimidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 55059268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).