1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one

C12H15ClN4O — CID 60796215

IUPAC1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2c(C)nn(C)c2Cl)c(=O)n1
InChIInChI=1S/C12H15ClN4O/c1-7-5-8(2)17(12(18)14-7)6-10-9(3)15-16(4)11(10)13/h5H,6H2,1-4H3
InChIKeyDLVOBSGOUIQYKA-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.60
Rot. Bonds2

About 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 60796215) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one
PubChem CID60796215
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(Cc2c(C)nn(C)c2Cl)c(=O)n1
InChIInChI=1S/C12H15ClN4O/c1-7-5-8(2)17(12(18)14-7)6-10-9(3)15-16(4)11(10)13/h5H,6H2,1-4H3
InChIKeyDLVOBSGOUIQYKA-UHFFFAOYSA-N
XLogP1.60
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one (CID 60796215) is 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(Cc2c(C)nn(C)c2Cl)c(=O)n1.
What is the InChIKey of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is DLVOBSGOUIQYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-7-5-8(2)17(12(18)14-7)6-10-9(3)15-16(4)11(10)13/h5H,6H2,1-4H3.
What are the key properties of 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one?
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 266.73 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 60796215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).