6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C12H13ClN4 — CID 63728239

IUPAC6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCc2ccccn2)n1
InChIInChI=1S/C12H13ClN4/c1-8-11(13)16-9(2)17-12(8)15-7-10-5-3-4-6-14-10/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyPLLHJHZWEAOQSG-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.75
Rot. Bonds3

About 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 63728239) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID63728239
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCc1nc(Cl)c(C)c(NCc2ccccn2)n1
InChIInChI=1S/C12H13ClN4/c1-8-11(13)16-9(2)17-12(8)15-7-10-5-3-4-6-14-10/h3-6H,7H2,1-2H3,(H,15,16,17)
InChIKeyPLLHJHZWEAOQSG-UHFFFAOYSA-N
XLogP2.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine chloride
CID 53346777
2-chloro-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 79076173
2-tert-butyl-6-hydrazinyl-5-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 81000690
5-methyl-2-N,4-N-bis(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71922543
2-methyl-N-(pyridin-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2063127
6-ethyl-2-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 6458164
6-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,3-diamine
CID 81132178
[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197097
5-chloro-2-N-methyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80777970
4-N-(2,6-dichlorophenyl)-2-methyl-6-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 112873352
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
4-N-(2-chlorophenyl)-5,6-dimethyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 71738749

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 63728239) is 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is Cc1nc(Cl)c(C)c(NCc2ccccn2)n1.
What is the InChIKey of 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is PLLHJHZWEAOQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-8-11(13)16-9(2)17-12(8)15-7-10-5-3-4-6-14-10/h3-6H,7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 248.72 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 63728239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).