4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine

C12H11Cl2N3 — CID 104822835

IUPAC4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESCCc1c(Cl)nc(-c2ccc(C)nc2)nc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-3-9-10(13)16-12(17-11(9)14)8-5-4-7(2)15-6-8/h4-6H,3H2,1-2H3
InChIKeyYCGCDVNAOKMXQQ-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.72
Rot. Bonds2

About 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine

4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine (PubChem CID 104822835) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine
PubChem CID104822835
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESCCc1c(Cl)nc(-c2ccc(C)nc2)nc1Cl
InChIInChI=1S/C12H11Cl2N3/c1-3-9-10(13)16-12(17-11(9)14)8-5-4-7(2)15-6-8/h4-6H,3H2,1-2H3
InChIKeyYCGCDVNAOKMXQQ-UHFFFAOYSA-N
XLogP3.72
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dichloro-5-ethyl-2-(4-ethylphenyl)pyrimidine
CID 63611306
4-chloro-5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidine
CID 104822846
4-chloro-5-iodo-6-(methoxymethyl)-2-(6-methyl-3-pyridinyl)pyrimidine
CID 113457185
5-bromo-4-tert-butyl-6-chloro-2-(6-methyl-3-pyridinyl)pyrimidine
CID 104822847
4,6-dichloro-5-ethyl-2-(3-methylphenyl)pyrimidine
CID 63612987
ethane;5-(4-ethylphenyl)-2-methylpyridine
CID 143418091
4,5,6-trichloro-2-(4-ethylphenyl)pyrimidine
CID 87337394
4,6-dichloro-5-ethyl-2-pyridin-2-ylpyrimidine
CID 63613489
4,6-dichloro-2-(3-chloro-5-fluorophenyl)-5-ethylpyrimidine
CID 114453923
4,6-dichloro-2-(4-ethylphenyl)-5-fluoropyrimidine
CID 80550252
N-ethyl-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823324
5-iodo-2-(6-methyl-3-pyridinyl)-6-propylpyrimidin-4-amine
CID 104823382

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine (CID 104822835) is 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine is CCc1c(Cl)nc(-c2ccc(C)nc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine?
The InChIKey is YCGCDVNAOKMXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c1-3-9-10(13)16-12(17-11(9)14)8-5-4-7(2)15-6-8/h4-6H,3H2,1-2H3.
What are the key properties of 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine?
4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine has a molecular weight of 268.15 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-ethyl-2-(6-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 104822835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).