4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine

C12H12ClN3 — CID 107502259

IUPAC4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
SMILESCc1cc(-c2nc(C)cc(Cl)n2)cc(C)n1
InChIInChI=1S/C12H12ClN3/c1-7-4-10(5-8(2)14-7)12-15-9(3)6-11(13)16-12/h4-6H,1-3H3
InChIKeyDKWOCVDTCUHPQH-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.12
Rot. Bonds1

About 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine

4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine (PubChem CID 107502259) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
PubChem CID107502259
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine
SMILESCc1cc(-c2nc(C)cc(Cl)n2)cc(C)n1
InChIInChI=1S/C12H12ClN3/c1-7-4-10(5-8(2)14-7)12-15-9(3)6-11(13)16-12/h4-6H,1-3H3
InChIKeyDKWOCVDTCUHPQH-UHFFFAOYSA-N
XLogP3.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine
CID 107502262
4-chloro-2-(4-fluorophenyl)-6-methylpyrimidine
CID 23362081
4-chloro-2-(3,4-dimethoxyphenyl)-6-methylpyrimidine
CID 43557828
2-(3-bromophenyl)-4-chloro-6-methylpyrimidine
CID 43557486
4-chloro-2-(5-fluoro-3-pyridinyl)-6-methylpyrimidine
CID 142460364
2-(1,3-benzodioxol-5-yl)-4-chloro-6-methylpyrimidine
CID 43557789
4-chloro-6-methyl-2-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 43557805
4-chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylpyrimidine
CID 43557784
4-chloro-2-(3-ethoxyphenyl)-6-methylpyrimidine
CID 43557478
4-chloro-6-methyl-2-pyrazin-2-ylpyrimidine
CID 43807323
5-(chloromethyl)-2-(2,6-dimethyl-4-pyridinyl)pyrimidine
CID 107504527
2,6-dimethyl-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134618418

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine (CID 107502259) is 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine is Cc1cc(-c2nc(C)cc(Cl)n2)cc(C)n1.
What is the InChIKey of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine?
The InChIKey is DKWOCVDTCUHPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-7-4-10(5-8(2)14-7)12-15-9(3)6-11(13)16-12/h4-6H,1-3H3.
What are the key properties of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine?
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine has a molecular weight of 233.70 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-methylpyrimidine is sourced from PubChem (CID 107502259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).