2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide

C12H18ClN3O2 — CID 114581821

IUPAC2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C12H18ClN3O2/c1-8(2)4-5-14-11(17)7-16-9(3)15-10(13)6-12(16)18/h6,8H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyPTYAHYDSMXCFDA-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.37
Rot. Bonds5

About 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide

2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (PubChem CID 114581821) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
PubChem CID114581821
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide
SMILESCc1nc(Cl)cc(=O)n1CC(=O)NCCC(C)C
InChIInChI=1S/C12H18ClN3O2/c1-8(2)4-5-14-11(17)7-16-9(3)15-10(13)6-12(16)18/h6,8H,4-5,7H2,1-3H3,(H,14,17)
InChIKeyPTYAHYDSMXCFDA-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide (CID 114581821) is 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is Cc1nc(Cl)cc(=O)n1CC(=O)NCCC(C)C.
What is the InChIKey of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
The InChIKey is PTYAHYDSMXCFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-8(2)4-5-14-11(17)7-16-9(3)15-10(13)6-12(16)18/h6,8H,4-5,7H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide?
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide has a molecular weight of 271.75 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-(3-methylbutyl)acetamide is sourced from PubChem (CID 114581821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).