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

C12H11ClN2O2 — CID 24902001

IUPAC2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
SMILESCOc1ccc(OC)c(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C12H11ClN2O2/c1-16-8-3-4-11(17-2)9(7-8)10-5-6-14-12(13)15-10/h3-7H,1-2H3
InChIKeyRLKSOTBVUPUTAZ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.81
Rot. Bonds3

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

2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine (PubChem CID 24902001) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
PubChem CID24902001
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine
SMILESCOc1ccc(OC)c(-c2ccnc(Cl)n2)c1
InChIInChI=1S/C12H11ClN2O2/c1-16-8-3-4-11(17-2)9(7-8)10-5-6-14-12(13)15-10/h3-7H,1-2H3
InChIKeyRLKSOTBVUPUTAZ-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)-4-fluoropyridine
CID 102824456
2-chloro-4-(4-fluoro-2-methoxyphenyl)pyrimidine
CID 24901904
4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
CID 43654737
4-(5-chloro-2-methoxyphenyl)-2-methoxypyrimidine
CID 116903740
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234
4,6-bis(2,5-dimethoxyphenyl)pyrimidin-2-amine
CID 75359779
5-(2-chloropyrimidin-4-yl)-2-methoxyphenol
CID 91620392
2-(2-chloropyrimidin-4-yl)-5-methoxy-1H-indole
CID 162717905
2-chloro-4-(2-ethoxy-5-fluorophenyl)pyrimidine
CID 24901936
2-chloro-4-(2-methoxy-4,6-dimethylphenyl)pyrimidine
CID 106681385
2-chloro-N-[(2,5-dimethoxyphenyl)methyl]pyrimidin-4-amine
CID 11844762

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine?
The IUPAC name of 2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine (CID 24902001) is 2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine is COc1ccc(OC)c(-c2ccnc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine?
The InChIKey is RLKSOTBVUPUTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-16-8-3-4-11(17-2)9(7-8)10-5-6-14-12(13)15-10/h3-7H,1-2H3.
What are the key properties of 2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine?
2-chloro-4-(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 2-chloro-4-(2,5-dimethoxyphenyl)pyrimidine is sourced from PubChem (CID 24902001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).