6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione

C13H12Cl2N2O3 — CID 103293707

IUPAC6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(Cl)c1Cn1c(=O)[nH]c(Cl)c(C)c1=O
InChIInChI=1S/C13H12Cl2N2O3/c1-7-11(15)16-13(19)17(12(7)18)6-8-9(14)4-3-5-10(8)20-2/h3-5H,6H2,1-2H3,(H,16,19)
InChIKeyFZZMERWNILXCAV-UHFFFAOYSA-N
MW315.16 g/mol
LogP2.21
Rot. Bonds3

About 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione

6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 103293707) has the molecular formula C13H12Cl2N2O3 and a molecular weight of 315.16 g/mol. Its IUPAC name is 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID103293707
Molecular FormulaC13H12Cl2N2O3
Molecular Weight315.16 g/mol
Exact Mass314.02
IUPAC Name6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
SMILESCOc1cccc(Cl)c1Cn1c(=O)[nH]c(Cl)c(C)c1=O
InChIInChI=1S/C13H12Cl2N2O3/c1-7-11(15)16-13(19)17(12(7)18)6-8-9(14)4-3-5-10(8)20-2/h3-5H,6H2,1-2H3,(H,16,19)
InChIKeyFZZMERWNILXCAV-UHFFFAOYSA-N
XLogP2.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.16
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-6-methoxyphenyl)methyl]-2-ethylpyrrolidine-2-carboxylic acid
CID 104819008
6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404223
2-[1-[(2-chloro-6-methoxyphenyl)methyl]-5-methylimidazol-2-yl]sulfanylacetic acid
CID 103293179
5-[(2-chloro-6-methoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115884014
1-[(2-chloro-6-methoxyphenyl)methyl]-6-methylbenzimidazol-2-amine
CID 103293052
1-chloro-3-methoxy-2-pentylbenzene
CID 173336348
3-[(4-chlorophenyl)methyl]-4-methoxy-1H-benzimidazol-2-one
CID 117209103
1-[(2-chloro-6-methoxyphenyl)methyl]-3,3-dimethyl-1,4-diazepane
CID 103293499
methyl 2-(2-chloro-6-methoxyphenyl)acetate
CID 170997137
1-chloro-2-hexyl-3-methoxybenzene
CID 166753940
3-(2-chloro-6-methoxyphenyl)-N-methylpropan-1-amine
CID 84734799
2-[(2-chloro-6-methoxyphenyl)methyl]-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 103293543

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione (CID 103293707) is 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione is COc1cccc(Cl)c1Cn1c(=O)[nH]c(Cl)c(C)c1=O.
What is the InChIKey of 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is FZZMERWNILXCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3/c1-7-11(15)16-13(19)17(12(7)18)6-8-9(14)4-3-5-10(8)20-2/h3-5H,6H2,1-2H3,(H,16,19).
What are the key properties of 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione?
6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 315.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-chloro-6-methoxyphenyl)methyl]-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 103293707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).