4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine

C12H11ClN2O2 — CID 43654737

IUPAC4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
SMILESCOc1ccc(OC)c(-c2nccc(Cl)n2)c1
InChIInChI=1S/C12H11ClN2O2/c1-16-8-3-4-10(17-2)9(7-8)12-14-6-5-11(13)15-12/h3-7H,1-2H3
InChIKeyBAXGJYLAZZCPRG-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.81
Rot. Bonds3

About 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine

4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine (PubChem CID 43654737) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
PubChem CID43654737
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
SMILESCOc1ccc(OC)c(-c2nccc(Cl)n2)c1
InChIInChI=1S/C12H11ClN2O2/c1-16-8-3-4-10(17-2)9(7-8)12-14-6-5-11(13)15-12/h3-7H,1-2H3
InChIKeyBAXGJYLAZZCPRG-UHFFFAOYSA-N
XLogP2.81
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
4-chloro-2-(2,5-dimethoxyphenyl)-6-ethoxypyrimidine
CID 82169554
2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
CID 24902001
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-methylpyrimidine
CID 66313783
2-chloro-4-(2,5-dimethoxyphenyl)pyridine-3-carbonitrile
CID 94283491
2-(2,5-dimethoxyphenyl)-4-fluoropyridine
CID 102824456
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 62202296
4-methoxy-3-(4-methylpyrimidin-2-yl)aniline
CID 82471257
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
5-chloro-3-(2,4-dimethoxyphenyl)-1,2,4-triazine
CID 116823727

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine?
The IUPAC name of 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine (CID 43654737) is 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine is COc1ccc(OC)c(-c2nccc(Cl)n2)c1.
What is the InChIKey of 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine?
The InChIKey is BAXGJYLAZZCPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-16-8-3-4-10(17-2)9(7-8)12-14-6-5-11(13)15-12/h3-7H,1-2H3.
What are the key properties of 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine?
4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine has a molecular weight of 250.69 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine is sourced from PubChem (CID 43654737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).