4-chloro-6-methyl-2-phenylmethoxypyrimidine

C12H11ClN2O — CID 19693873

IUPAC4-chloro-6-methyl-2-phenylmethoxypyrimidine
SMILESCc1cc(Cl)nc(OCc2ccccc2)n1
InChIInChI=1S/C12H11ClN2O/c1-9-7-11(13)15-12(14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyIXMJBHKEIPUVAS-UHFFFAOYSA-N
MW234.69 g/mol
LogP3.02
Rot. Bonds3

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

4-chloro-6-methyl-2-phenylmethoxypyrimidine (PubChem CID 19693873) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-phenylmethoxypyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-phenylmethoxypyrimidine
PubChem CID19693873
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name4-chloro-6-methyl-2-phenylmethoxypyrimidine
SMILESCc1cc(Cl)nc(OCc2ccccc2)n1
InChIInChI=1S/C12H11ClN2O/c1-9-7-11(13)15-12(14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyIXMJBHKEIPUVAS-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

4-Chloro-6-(2-Methoxyphenyl)pyrimidin-2-Amine
CID 46861552
4-Chloro-5-(4-methoxybenzyl)-6-methylpyrimidin-2-amine
CID 919161
4-Chloro-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 24743460
4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
CID 2763927
5-(3-Chlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
CID 309417
2-Benzyloxy-6-chloro-pyrimidin-4-amine
CID 470506
6-Chloro-2-(m-tolylmethoxy)pyrimidin-4-amine
CID 470507
2,4-Dichloro-6-(4-methoxyphenyl)pyrimidine
CID 22618163
Benzyl S-4,6-dimethylpyrimidin-2-yl thiocarbonate
CID 563496
4-(Benzyloxy)-2-chloro-6-methylpyrimidine
CID 62476761
4-Chloro-6-[dichloro-(4-methoxyphenyl)methyl]-2-methoxy-pyrimidine
CID 455304
2-[(Benzyloxy)amino]-4,6-dimethylpyrimidine
CID 796119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-phenylmethoxypyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-phenylmethoxypyrimidine (CID 19693873) is 4-chloro-6-methyl-2-phenylmethoxypyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-phenylmethoxypyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-phenylmethoxypyrimidine is Cc1cc(Cl)nc(OCc2ccccc2)n1.
What is the InChIKey of 4-chloro-6-methyl-2-phenylmethoxypyrimidine?
The InChIKey is IXMJBHKEIPUVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9-7-11(13)15-12(14-9)16-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 4-chloro-6-methyl-2-phenylmethoxypyrimidine?
4-chloro-6-methyl-2-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 4-chloro-6-methyl-2-phenylmethoxypyrimidine is sourced from PubChem (CID 19693873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).