2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine

C11H10ClN3 — CID 79079782

IUPAC2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine
SMILESCc1ccncc1-c1nc(Cl)ncc1C
InChIInChI=1S/C11H10ClN3/c1-7-3-4-13-6-9(7)10-8(2)5-14-11(12)15-10/h3-6H,1-2H3
InChIKeyYZIKRNGUEOBKFI-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.81
Rot. Bonds1

About 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine

2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine (PubChem CID 79079782) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine
PubChem CID79079782
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine
SMILESCc1ccncc1-c1nc(Cl)ncc1C
InChIInChI=1S/C11H10ClN3/c1-7-3-4-13-6-9(7)10-8(2)5-14-11(12)15-10/h3-6H,1-2H3
InChIKeyYZIKRNGUEOBKFI-UHFFFAOYSA-N
XLogP2.81
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(5-chloro-2-methoxyphenyl)-5-methylpyrimidine
CID 79072753
4-(4-bromothiophen-3-yl)-2-chloro-5-methylpyrimidine
CID 79601582
2-chloro-4-(4-fluorophenyl)-5-methylpyrimidine
CID 79072654
4-(1-benzothiophen-7-yl)-2-chloro-5-methylpyrimidine
CID 81147667
2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine
CID 79073426
4-(4-methyl-3-pyridinyl)pyrimidin-5-amine
CID 82405861
7-(2-chloro-5-methylpyrimidin-4-yl)quinoline
CID 81221493
4-(3-fluoro-4-pyridinyl)-5-methylpyrimidin-2-amine
CID 104739316
2-chloro-4-(1-ethylimidazol-2-yl)-5-methylpyrimidine
CID 79079771
4-(4-methyl-3-pyridinyl)-1,3-thiazole-5-carbaldehyde
CID 91664691
2-chloro-5-methyl-4-(pyridin-3-ylmethyl)pyrimidine
CID 104737123
4-(4-methyl-3-pyridinyl)-1,3,5-triazin-2-amine
CID 114879019

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine (CID 79079782) is 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine is Cc1ccncc1-c1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine?
The InChIKey is YZIKRNGUEOBKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c1-7-3-4-13-6-9(7)10-8(2)5-14-11(12)15-10/h3-6H,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine?
2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine has a molecular weight of 219.68 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-(4-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 79079782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).