4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine

C11H13N5 — CID 80831876

IUPAC4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2ccnc(N)n2)cn1
InChIInChI=1S/C11H13N5/c1-8-2-3-9(6-14-8)7-15-10-4-5-13-11(12)16-10/h2-6H,7H2,1H3,(H3,12,13,15,16)
InChIKeyNZCLUZOQNXSZLU-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.37
Rot. Bonds3

About 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine

4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 80831876) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID80831876
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCc1ccc(CNc2ccnc(N)n2)cn1
InChIInChI=1S/C11H13N5/c1-8-2-3-9(6-14-8)7-15-10-4-5-13-11(12)16-10/h2-6H,7H2,1H3,(H3,12,13,15,16)
InChIKeyNZCLUZOQNXSZLU-UHFFFAOYSA-N
XLogP1.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-[(6-methyl-3-pyridinyl)methyl]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 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 80831876) is 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine is Cc1ccc(CNc2ccnc(N)n2)cn1.
What is the InChIKey of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is NZCLUZOQNXSZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8-2-3-9(6-14-8)7-15-10-4-5-13-11(12)16-10/h2-6H,7H2,1H3,(H3,12,13,15,16).
What are the key properties of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80831876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).