6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C11H13N5 — CID 2725571

IUPAC6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cccnc2)nc(N)n1
InChIInChI=1S/C11H13N5/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H3,12,14,15,16)
InChIKeyDSSCXCDTPABWJX-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.37
Rot. Bonds3

About 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 2725571) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID2725571
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCc1cc(NCc2cccnc2)nc(N)n1
InChIInChI=1S/C11H13N5/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H3,12,14,15,16)
InChIKeyDSSCXCDTPABWJX-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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 2725571) is 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is Cc1cc(NCc2cccnc2)nc(N)n1.
What is the InChIKey of 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is DSSCXCDTPABWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-8-5-10(16-11(12)15-8)14-7-9-3-2-4-13-6-9/h2-6H,7H2,1H3,(H3,12,14,15,16).
What are the key properties of 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
6-methyl-4-N-(pyridin-3-ylmethyl)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 6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 2725571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).