5-(anilinomethyl)pyrimidine-2,4-diamine

C11H13N5 — CID 516692

IUPAC5-(anilinomethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CNc2ccccc2)c(N)n1
InChIInChI=1S/C11H13N5/c12-10-8(7-15-11(13)16-10)6-14-9-4-2-1-3-5-9/h1-5,7,14H,6H2,(H4,12,13,15,16)
InChIKeyCCQQSWGQEBMHHL-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.25
Rot. Bonds3

About 5-(anilinomethyl)pyrimidine-2,4-diamine

5-(anilinomethyl)pyrimidine-2,4-diamine (PubChem CID 516692) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 5-(anilinomethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(anilinomethyl)pyrimidine-2,4-diamine
PubChem CID516692
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name5-(anilinomethyl)pyrimidine-2,4-diamine
SMILESNc1ncc(CNc2ccccc2)c(N)n1
InChIInChI=1S/C11H13N5/c12-10-8(7-15-11(13)16-10)6-14-9-4-2-1-3-5-9/h1-5,7,14H,6H2,(H4,12,13,15,16)
InChIKeyCCQQSWGQEBMHHL-UHFFFAOYSA-N
XLogP1.25
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-(anilinomethyl)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

Related Compounds

5-[(4-methoxyanilino)methyl]pyrimidine-2,4-diamine
CID 46888181
5-[(benzhydrylamino)methyl]pyrimidine-2,4-diamine
CID 22062977
2-methyl-5-[(4-phenoxyanilino)methyl]pyrimidin-4-amine
CID 139913956
5-(5-phenylpentyl)pyrimidine-2,4-diamine
CID 134120441
5-[(3-fluoroanilino)methyl]-2-methylpyrimidin-4-amine
CID 155559046
5-[[(1-methylindol-3-yl)methylamino]methyl]pyrimidine-2,4-diamine
CID 166321610
N-[2-[4-[(2,4-diaminopyrimidin-5-yl)methylamino]phenyl]ethyl]-4-fluorobenzamide
CID 141483699
(2,4-diaminopyrimidin-5-yl)methanethiol
CID 141014198
3-(anilinomethyl)naphthalen-2-amine
CID 61214837
5-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 10752197
2-methyl-5-[[4-(trifluoromethyl)anilino]methyl]pyrimidin-4-amine
CID 155568861
5-(dibenzo-p-dioxin-2-ylmethyl)pyrimidine-2,4-diamine
CID 627864

Frequently Asked Questions

What is the IUPAC name of 5-(anilinomethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(anilinomethyl)pyrimidine-2,4-diamine (CID 516692) is 5-(anilinomethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(anilinomethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(anilinomethyl)pyrimidine-2,4-diamine is Nc1ncc(CNc2ccccc2)c(N)n1.
What is the InChIKey of 5-(anilinomethyl)pyrimidine-2,4-diamine?
The InChIKey is CCQQSWGQEBMHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-10-8(7-15-11(13)16-10)6-14-9-4-2-1-3-5-9/h1-5,7,14H,6H2,(H4,12,13,15,16).
What are the key properties of 5-(anilinomethyl)pyrimidine-2,4-diamine?
5-(anilinomethyl)pyrimidine-2,4-diamine has a molecular weight of 215.26 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(anilinomethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 516692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).