N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide

C12H19N3O2 — CID 135418958

IUPACN-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(CCC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-7(2)5-6-10-8(3)13-12(14-9(4)16)15-11(10)17/h7H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyKFAVZULLJGZHNY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.63
Rot. Bonds4

About N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide

N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide (PubChem CID 135418958) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
PubChem CID135418958
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(CCC(C)C)c(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-7(2)5-6-10-8(3)13-12(14-9(4)16)15-11(10)17/h7H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyKFAVZULLJGZHNY-UHFFFAOYSA-N
XLogP1.63
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide (CID 135418958) is N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(C)c(CCC(C)C)c(=O)[nH]1.
What is the InChIKey of N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
The InChIKey is KFAVZULLJGZHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-7(2)5-6-10-8(3)13-12(14-9(4)16)15-11(10)17/h7H,5-6H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide?
N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide has a molecular weight of 237.30 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-(3-methylbutyl)-6-oxo-1H-pyrimidin-2-yl]acetamide is sourced from PubChem (CID 135418958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).