4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine

C12H10Cl2N2O — CID 578730

IUPAC4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine
SMILESCOc1ccc(Cc2c(Cl)ncnc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2O/c1-17-9-4-2-8(3-5-9)6-10-11(13)15-7-16-12(10)14/h2-5,7H,6H2,1H3
InChIKeyXNMPLWCKNIJJCB-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.38
Rot. Bonds3

About 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine

4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine (PubChem CID 578730) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine
PubChem CID578730
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine
SMILESCOc1ccc(Cc2c(Cl)ncnc2Cl)cc1
InChIInChI=1S/C12H10Cl2N2O/c1-17-9-4-2-8(3-5-9)6-10-11(13)15-7-16-12(10)14/h2-5,7H,6H2,1H3
InChIKeyXNMPLWCKNIJJCB-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine?
The IUPAC name of 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine (CID 578730) is 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine?
The canonical SMILES for 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine is COc1ccc(Cc2c(Cl)ncnc2Cl)cc1.
What is the InChIKey of 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine?
The InChIKey is XNMPLWCKNIJJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c1-17-9-4-2-8(3-5-9)6-10-11(13)15-7-16-12(10)14/h2-5,7H,6H2,1H3.
What are the key properties of 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine?
4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine has a molecular weight of 269.13 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-[(4-methoxyphenyl)methyl]pyrimidine is sourced from PubChem (CID 578730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).