2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide

C15H14ClN3O2 — CID 30936029

IUPAC2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CC1
InChIInChI=1S/C15H14ClN3O2/c16-11-3-1-10(2-4-11)13-7-15(21)19(9-17-13)8-14(20)18-12-5-6-12/h1-4,7,9,12H,5-6,8H2,(H,18,20)
InChIKeyGCDGGROUGVDRIG-UHFFFAOYSA-N
MW303.75 g/mol
LogP1.84
Rot. Bonds4

About 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide

2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide (PubChem CID 30936029) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide
PubChem CID30936029
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CC1
InChIInChI=1S/C15H14ClN3O2/c16-11-3-1-10(2-4-11)13-7-15(21)19(9-17-13)8-14(20)18-12-5-6-12/h1-4,7,9,12H,5-6,8H2,(H,18,20)
InChIKeyGCDGGROUGVDRIG-UHFFFAOYSA-N
XLogP1.84
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide (CID 30936029) is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide is O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)NC1CC1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide?
The InChIKey is GCDGGROUGVDRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c16-11-3-1-10(2-4-11)13-7-15(21)19(9-17-13)8-14(20)18-12-5-6-12/h1-4,7,9,12H,5-6,8H2,(H,18,20).
What are the key properties of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide?
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide has a molecular weight of 303.75 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 30936029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).