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

C11H12ClN5 — CID 80777970

IUPAC5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCc2ccccn2)n1
InChIInChI=1S/C11H12ClN5/c1-13-11-16-7-9(12)10(17-11)15-6-8-4-2-3-5-14-8/h2-5,7H,6H2,1H3,(H2,13,15,16,17)
InChIKeyACEOBIZCYGBSOR-UHFFFAOYSA-N
MW249.71 g/mol
LogP2.18
Rot. Bonds4

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

5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80777970) has the molecular formula C11H12ClN5 and a molecular weight of 249.71 g/mol. Its IUPAC name is 5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80777970
Molecular FormulaC11H12ClN5
Molecular Weight249.71 g/mol
Exact Mass249.08
IUPAC Name5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(Cl)c(NCc2ccccn2)n1
InChIInChI=1S/C11H12ClN5/c1-13-11-16-7-9(12)10(17-11)15-6-8-4-2-3-5-14-8/h2-5,7H,6H2,1H3,(H2,13,15,16,17)
InChIKeyACEOBIZCYGBSOR-UHFFFAOYSA-N
XLogP2.18
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.71
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80785478
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
5-chloro-2-N-methyl-4-N-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 82875453
5-chloro-2-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808035
5-chloro-2-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80813779
2-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80943748
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
5-chloro-2-N-methyl-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80849598
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 63728239
4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71738749
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 82066295
5-fluoro-2-N-methyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-2,4-diamine
CID 106898146

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine (CID 80777970) is 5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(Cl)c(NCc2ccccn2)n1.
What is the InChIKey of 5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is ACEOBIZCYGBSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5/c1-13-11-16-7-9(12)10(17-11)15-6-8-4-2-3-5-14-8/h2-5,7H,6H2,1H3,(H2,13,15,16,17).
What are the key properties of 5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine?
5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 249.71 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80777970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).