4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine

C12H10Cl2N2O — CID 2795317

IUPAC4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2O/c1-17-7-10-6-11(14)16-12(15-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyZRAKXYRMIAPBMF-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.60
Rot. Bonds3

About 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine

4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine (PubChem CID 2795317) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine
PubChem CID2795317
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine
SMILESCOCc1cc(Cl)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H10Cl2N2O/c1-17-7-10-6-11(14)16-12(15-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3
InChIKeyZRAKXYRMIAPBMF-UHFFFAOYSA-N
XLogP3.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-6-(methoxymethyl)-2-methylpyrimidin-4-amine
CID 1476795
{6-[(4-Chlorophenyl)sulfanyl]-2-phenyl-4-pyrimidinyl}methyl methyl ether
CID 1479483
N-isopropyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 1476686
N-allyl-6-(methoxymethyl)-2-phenyl-4-pyrimidinamine
CID 3723355
4-[6-(Methoxymethyl)-2-phenylpyrimidin-4-yl]morpholine
CID 1476663
4-[(2,6-Dichlorophenyl)sulfanyl]-6-(methoxymethyl)-2-phenylpyrimidine
CID 1476689
2,4-Diamino-5-(3,4-dichlorophenyl)-6-methoxymethyl pyrimidine
CID 19705129
5-(4-Chlorophenyl)-6-(1,1-dimethoxyethyl)pyrimidine-2,4-diamine
CID 68137178
4-Chloro-6-(methoxymethyl)-2-phenylpyrimidine
CID 2763927
5-(3-Chlorophenyl)-6-(ethoxymethyl)pyrimidine-2,4-diamine
CID 309417
Methyl [2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl]methyl ether
CID 1476666
Methyl (2-phenyl-6-piperidino-4-pyrimidinyl)methyl ether
CID 1476667

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine?
The IUPAC name of 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine (CID 2795317) is 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine is COCc1cc(Cl)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine?
The InChIKey is ZRAKXYRMIAPBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-17-7-10-6-11(14)16-12(15-10)8-2-4-9(13)5-3-8/h2-6H,7H2,1H3.
What are the key properties of 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine?
4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine has a molecular weight of 269.13 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-chlorophenyl)-6-(methoxymethyl)pyrimidine is sourced from PubChem (CID 2795317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).