2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide

C14H23N3O2 — CID 137316163

IUPAC2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide
SMILESCc1cc(=O)[nH]c(C(CC(C)C)NC(=O)C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-8(2)6-11(16-14(19)9(3)4)13-15-10(5)7-12(18)17-13/h7-9,11H,6H2,1-5H3,(H,16,19)(H,15,17,18)
InChIKeyQCGILWVCPSVGOF-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.94
Rot. Bonds5

About 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide

2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide (PubChem CID 137316163) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide
PubChem CID137316163
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide
SMILESCc1cc(=O)[nH]c(C(CC(C)C)NC(=O)C(C)C)n1
InChIInChI=1S/C14H23N3O2/c1-8(2)6-11(16-14(19)9(3)4)13-15-10(5)7-12(18)17-13/h7-9,11H,6H2,1-5H3,(H,16,19)(H,15,17,18)
InChIKeyQCGILWVCPSVGOF-UHFFFAOYSA-N
XLogP1.94
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide (CID 137316163) is 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide is Cc1cc(=O)[nH]c(C(CC(C)C)NC(=O)C(C)C)n1.
What is the InChIKey of 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide?
The InChIKey is QCGILWVCPSVGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-8(2)6-11(16-14(19)9(3)4)13-15-10(5)7-12(18)17-13/h7-9,11H,6H2,1-5H3,(H,16,19)(H,15,17,18).
What are the key properties of 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide?
2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)butyl]propanamide is sourced from PubChem (CID 137316163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).