2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide

C11H14N4O2 — CID 142610468

IUPAC2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N=CC2C
InChIInChI=1S/C11H14N4O2/c1-5(2)9(16)14-11-13-7-6(3)4-12-8(7)10(17)15-11/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyLKKBHKTWHMMBTB-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.18
Rot. Bonds2

About 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide

2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide (PubChem CID 142610468) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide
PubChem CID142610468
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide
SMILESCC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N=CC2C
InChIInChI=1S/C11H14N4O2/c1-5(2)9(16)14-11-13-7-6(3)4-12-8(7)10(17)15-11/h4-6H,1-3H3,(H2,13,14,15,16,17)
InChIKeyLKKBHKTWHMMBTB-UHFFFAOYSA-N
XLogP1.18
TPSA87.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide?
The IUPAC name of 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide (CID 142610468) is 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide?
The canonical SMILES for 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide is CC(C)C(=O)Nc1nc2c(c(=O)[nH]1)N=CC2C.
What is the InChIKey of 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide?
The InChIKey is LKKBHKTWHMMBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-5(2)9(16)14-11-13-7-6(3)4-12-8(7)10(17)15-11/h4-6H,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide?
2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide has a molecular weight of 234.26 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(7-methyl-4-oxo-3,7-dihydropyrrolo[3,2-d]pyrimidin-2-yl)propanamide is sourced from PubChem (CID 142610468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).