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

C13H17N3O2 — CID 147485045

IUPAC2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide
SMILESCc1nc2n(c(=O)c1CNC(=O)C(C)C)CC=C2
InChIInChI=1S/C13H17N3O2/c1-8(2)12(17)14-7-10-9(3)15-11-5-4-6-16(11)13(10)18/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyFEKCCIKAKBNLCZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.85
Rot. Bonds3

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

2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide (PubChem CID 147485045) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide
PubChem CID147485045
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide
SMILESCc1nc2n(c(=O)c1CNC(=O)C(C)C)CC=C2
InChIInChI=1S/C13H17N3O2/c1-8(2)12(17)14-7-10-9(3)15-11-5-4-6-16(11)13(10)18/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyFEKCCIKAKBNLCZ-UHFFFAOYSA-N
XLogP0.85
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide with MolForge

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Related Compounds

2-methyl-4-oxo-N-propylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 53015677
(2S)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
CID 125168747
2-methyl-N-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 129034348
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]propanamide
CID 129034354
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]-2-methylpropanamide
CID 129034355
N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide
CID 157058324
2-methyl-N-[(4-methyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide
CID 159587753
N-[(2,7-dimethyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide
CID 160413248
2-Methyl-N-(2-methylpropyl)-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 53015698
2,6-Dimethyl-3-[3-(2-methylpropylamino)propyl]pyrimidin-4-one
CID 55236064
3-(3-Amino-2-methylpropyl)-2,6-dimethylpyrimidin-4-one
CID 63768290
2,6-Dimethyl-3-[2-methyl-3-(propylamino)propyl]pyrimidin-4-one
CID 64230837

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide (CID 147485045) is 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide is Cc1nc2n(c(=O)c1CNC(=O)C(C)C)CC=C2.
What is the InChIKey of 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide?
The InChIKey is FEKCCIKAKBNLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)12(17)14-7-10-9(3)15-11-5-4-6-16(11)13(10)18/h4-5,8H,6-7H2,1-3H3,(H,14,17).
What are the key properties of 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide?
2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide is sourced from PubChem (CID 147485045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).