N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide

C14H19N3O2 — CID 157058324

IUPACN-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide
SMILESCC1=Cc2nc(=O)c(CNC(=O)C(C)C)c(C)n2C1
InChIInChI=1S/C14H19N3O2/c1-8(2)13(18)15-6-11-10(4)17-7-9(3)5-12(17)16-14(11)19/h5,8H,6-7H2,1-4H3,(H,15,18)
InChIKeyABABFFLBRSDPIB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.24
Rot. Bonds3

About N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide

N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide (PubChem CID 157058324) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide
PubChem CID157058324
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide
SMILESCC1=Cc2nc(=O)c(CNC(=O)C(C)C)c(C)n2C1
InChIInChI=1S/C14H19N3O2/c1-8(2)13(18)15-6-11-10(4)17-7-9(3)5-12(17)16-14(11)19/h5,8H,6-7H2,1-4H3,(H,15,18)
InChIKeyABABFFLBRSDPIB-UHFFFAOYSA-N
XLogP1.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide with MolForge

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Related Compounds

(2S)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
CID 125168747
2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 51072226
N-[(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)methyl]acetamide
CID 121371102
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-ethyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 137304332
2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide
CID 147485045
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
2,6-di(propan-2-yl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 169303468
2-Methyl-N-(2-methylpropyl)-4-oxo-4H-pyrido[1,2-A]pyrimidine-3-carboxamide
CID 53015698

Frequently Asked Questions

What is the IUPAC name of N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide (CID 157058324) is N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide is CC1=Cc2nc(=O)c(CNC(=O)C(C)C)c(C)n2C1.
What is the InChIKey of N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide?
The InChIKey is ABABFFLBRSDPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)13(18)15-6-11-10(4)17-7-9(3)5-12(17)16-14(11)19/h5,8H,6-7H2,1-4H3,(H,15,18).
What are the key properties of N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide?
N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide has a molecular weight of 261.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,7-dimethyl-2-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 157058324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).