2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

C11H12ClN5 — CID 114043542

IUPAC2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCc2cccnc2)c1N
InChIInChI=1S/C11H12ClN5/c1-7-9(13)10(17-11(12)16-7)15-6-8-3-2-4-14-5-8/h2-5H,6,13H2,1H3,(H,15,16,17)
InChIKeyQCTKEYTYHBAIOE-UHFFFAOYSA-N
MW249.71 g/mol
LogP2.03
Rot. Bonds3

About 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine

2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine (PubChem CID 114043542) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
PubChem CID114043542
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine
SMILESCc1nc(Cl)nc(NCc2cccnc2)c1N
InChIInChI=1S/C11H12ClN5/c1-7-9(13)10(17-11(12)16-7)15-6-8-3-2-4-14-5-8/h2-5H,6,13H2,1H3,(H,15,16,17)
InChIKeyQCTKEYTYHBAIOE-UHFFFAOYSA-N
XLogP2.03
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine (CID 114043542) is 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine is Cc1nc(Cl)nc(NCc2cccnc2)c1N.
What is the InChIKey of 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
The InChIKey is QCTKEYTYHBAIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-7-9(13)10(17-11(12)16-7)15-6-8-3-2-4-14-5-8/h2-5H,6,13H2,1H3,(H,15,16,17).
What are the key properties of 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine?
2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine has a molecular weight of 249.71 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 114043542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).