2-chloro-4-methyl-6-phenylmethoxypyrimidine

C12H11ClN2O — CID 62476761

IUPAC2-chloro-4-methyl-6-phenylmethoxypyrimidine
SMILESCc1cc(OCc2ccccc2)nc(Cl)n1
InChIInChI=1S/C12H11ClN2O/c1-9-7-11(15-12(13)14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyNSRUAVFRZLOKLL-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.02
Rot. Bonds3

About 2-chloro-4-methyl-6-phenylmethoxypyrimidine

2-chloro-4-methyl-6-phenylmethoxypyrimidine (PubChem CID 62476761) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-phenylmethoxypyrimidine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-phenylmethoxypyrimidine
PubChem CID62476761
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name2-chloro-4-methyl-6-phenylmethoxypyrimidine
SMILESCc1cc(OCc2ccccc2)nc(Cl)n1
InChIInChI=1S/C12H11ClN2O/c1-9-7-11(15-12(13)14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyNSRUAVFRZLOKLL-UHFFFAOYSA-N
XLogP3.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Enecadin
CID 6433114
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
CID 9800750
2-(4-Ethoxy-8-methylquinazolin-2-yl)guanidine
CID 2869867
4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
4-Methoxy-6-(2-prop-2-enylphenoxy)pyrimidine-2-ylamine
CID 686101
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
2,4-Diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723352
4-Ethoxyquinazoline
CID 589708
6-(5-Phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155532752
Ethyl 4-(2-chloro-6-methylpyrimidin-4-yloxy)benzoate
CID 1929655
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233
2-(4-Methyl-6-phenoxypyrimidin-2-yl)phenol
CID 659561

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-phenylmethoxypyrimidine?
The IUPAC name of 2-chloro-4-methyl-6-phenylmethoxypyrimidine (CID 62476761) is 2-chloro-4-methyl-6-phenylmethoxypyrimidine.
What is the SMILES notation for 2-chloro-4-methyl-6-phenylmethoxypyrimidine?
The canonical SMILES for 2-chloro-4-methyl-6-phenylmethoxypyrimidine is Cc1cc(OCc2ccccc2)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-methyl-6-phenylmethoxypyrimidine?
The InChIKey is NSRUAVFRZLOKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9-7-11(15-12(13)14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-4-methyl-6-phenylmethoxypyrimidine?
2-chloro-4-methyl-6-phenylmethoxypyrimidine has a molecular weight of 234.69 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-phenylmethoxypyrimidine is sourced from PubChem (CID 62476761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).