2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

C12H13ClN4 — CID 62482411

IUPAC2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2cc(C)nc(Cl)n2)n1
InChIInChI=1S/C12H13ClN4/c1-8-4-3-5-10(15-8)7-14-11-6-9(2)16-12(13)17-11/h3-6H,7H2,1-2H3,(H,14,16,17)
InChIKeyYRGFQZCPICVYRV-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.75
Rot. Bonds3

About 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine

2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (PubChem CID 62482411) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
PubChem CID62482411
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC Name2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
SMILESCc1cccc(CNc2cc(C)nc(Cl)n2)n1
InChIInChI=1S/C12H13ClN4/c1-8-4-3-5-10(15-8)7-14-11-6-9(2)16-12(13)17-11/h3-6H,7H2,1-2H3,(H,14,16,17)
InChIKeyYRGFQZCPICVYRV-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine (CID 62482411) is 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is Cc1cccc(CNc2cc(C)nc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
The InChIKey is YRGFQZCPICVYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-8-4-3-5-10(15-8)7-14-11-6-9(2)16-12(13)17-11/h3-6H,7H2,1-2H3,(H,14,16,17).
What are the key properties of 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine?
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]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 2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 62482411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).