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

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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).