4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine

C18H14Cl2N2O2 — CID 18938913

IUPAC4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine
SMILESCOc1cccc(Cc2nc(Cl)c(Oc3ccccc3)c(Cl)n2)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-23-14-9-5-6-12(10-14)11-15-21-17(19)16(18(20)22-15)24-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyYOCVWXRKKHQCHE-UHFFFAOYSA-N
MW361.23 g/mol
LogP5.18
Rot. Bonds5

About 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine

4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine (PubChem CID 18938913) has the molecular formula C18H14Cl2N2O2 and a molecular weight of 361.23 g/mol. Its IUPAC name is 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine
PubChem CID18938913
Molecular FormulaC18H14Cl2N2O2
Molecular Weight361.23 g/mol
Exact Mass360.04
IUPAC Name4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine
SMILESCOc1cccc(Cc2nc(Cl)c(Oc3ccccc3)c(Cl)n2)c1
InChIInChI=1S/C18H14Cl2N2O2/c1-23-14-9-5-6-12(10-14)11-15-21-17(19)16(18(20)22-15)24-13-7-3-2-4-8-13/h2-10H,11H2,1H3
InChIKeyYOCVWXRKKHQCHE-UHFFFAOYSA-N
XLogP5.18
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.23
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-cyclopropyl-5-iodo-2-[(3-methoxyphenyl)methyl]pyrimidine
CID 66292488
6-[(3-phenoxyphenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 71468116
2-[(3-methoxyphenyl)methyl]-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739988
6-chloro-2-[(3-methoxyphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117130393
2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025987
6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 62319868
4-chloro-5-[(3-methoxyphenyl)methyl]-6-methylpyrimidine
CID 87167555
6-ethyl-2-[(3-methoxyphenyl)methyl]-N,5-dimethylpyrimidin-4-amine
CID 63561150
(3-methoxyphenyl)methyl thiohypochlorite
CID 153381003
2-[3-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]acetic acid
CID 61272827
5-iodo-6-(methoxymethyl)-2-[(3-methoxyphenyl)methyl]-N-methylpyrimidin-4-amine
CID 66304459
1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine?
The IUPAC name of 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine (CID 18938913) is 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine.
What is the SMILES notation for 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine?
The canonical SMILES for 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine is COc1cccc(Cc2nc(Cl)c(Oc3ccccc3)c(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine?
The InChIKey is YOCVWXRKKHQCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2/c1-23-14-9-5-6-12(10-14)11-15-21-17(19)16(18(20)22-15)24-13-7-3-2-4-8-13/h2-10H,11H2,1H3.
What are the key properties of 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine?
4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine has a molecular weight of 361.23 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-[(3-methoxyphenyl)methyl]-5-phenoxypyrimidine is sourced from PubChem (CID 18938913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).