4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine

C11H13N5 — CID 79918373

IUPAC4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
SMILESCc1ccc(CNc2ncncc2N)cn1
InChIInChI=1S/C11H13N5/c1-8-2-3-9(4-14-8)5-15-11-10(12)6-13-7-16-11/h2-4,6-7H,5,12H2,1H3,(H,13,15,16)
InChIKeyMQXXCMRKJJWTCM-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.37
Rot. Bonds3

About 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine

4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine (PubChem CID 79918373) 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-4,5-diamine.

Molecular Properties

Compound Name4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
PubChem CID79918373
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine
SMILESCc1ccc(CNc2ncncc2N)cn1
InChIInChI=1S/C11H13N5/c1-8-2-3-9(4-14-8)5-15-11-10(12)6-13-7-16-11/h2-4,6-7H,5,12H2,1H3,(H,13,15,16)
InChIKeyMQXXCMRKJJWTCM-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-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dimethyl-4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 80831875
4-N-[(6-methyl-3-pyridinyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80831700
3-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazin-2-amine
CID 83064247
4-N-(1H-pyrazol-4-ylmethyl)pyrimidine-4,5-diamine
CID 79918333
4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
CID 106750778
6-methoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325637
6-ethoxy-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 66325638
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
4-bromo-5-fluoro-1-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66110547
N-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55142080
5-amino-2-[(6-methyl-3-pyridinyl)methylamino]pyridine-3-carbonitrile
CID 62995291
4-fluoro-5-iodo-2-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2-diamine
CID 66100710

Frequently Asked Questions

What is the IUPAC name of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
The IUPAC name of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine (CID 79918373) is 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine is Cc1ccc(CNc2ncncc2N)cn1.
What is the InChIKey of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
The InChIKey is MQXXCMRKJJWTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8-2-3-9(4-14-8)5-15-11-10(12)6-13-7-16-11/h2-4,6-7H,5,12H2,1H3,(H,13,15,16).
What are the key properties of 4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-diamine?
4-N-[(6-methyl-3-pyridinyl)methyl]pyrimidine-4,5-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-4,5-diamine is sourced from PubChem (CID 79918373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).