5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C10H11N5 — CID 608444

IUPAC5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2cccnc2)c(N)n1
InChIInChI=1S/C10H11N5/c11-9-8(6-14-10(12)15-9)4-7-2-1-3-13-5-7/h1-3,5-6H,4H2,(H4,11,12,14,15)
InChIKeyFMBYANWCIULBGK-UHFFFAOYSA-N
MW201.23 g/mol
LogP0.63
Rot. Bonds2

About 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 608444) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID608444
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(Cc2cccnc2)c(N)n1
InChIInChI=1S/C10H11N5/c11-9-8(6-14-10(12)15-9)4-7-2-1-3-13-5-7/h1-3,5-6H,4H2,(H4,11,12,14,15)
InChIKeyFMBYANWCIULBGK-UHFFFAOYSA-N
XLogP0.63
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(pyridin-3-ylmethyl)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 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 608444) is 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is Nc1ncc(Cc2cccnc2)c(N)n1.
What is the InChIKey of 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is FMBYANWCIULBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-9-8(6-14-10(12)15-9)4-7-2-1-3-13-5-7/h1-3,5-6H,4H2,(H4,11,12,14,15).
What are the key properties of 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 201.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 608444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).