2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide

C14H22N4O2 — CID 118786245

IUPAC2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide
SMILESCc1nc2c(c(=O)n1C)CN(C(C)C(=O)NC(C)C)C2
InChIInChI=1S/C14H22N4O2/c1-8(2)15-13(19)9(3)18-6-11-12(7-18)16-10(4)17(5)14(11)20/h8-9H,6-7H2,1-5H3,(H,15,19)
InChIKeyXZGOQUMVLZMPCR-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.32
Rot. Bonds3

About 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide

2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide (PubChem CID 118786245) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide
PubChem CID118786245
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide
SMILESCc1nc2c(c(=O)n1C)CN(C(C)C(=O)NC(C)C)C2
InChIInChI=1S/C14H22N4O2/c1-8(2)15-13(19)9(3)18-6-11-12(7-18)16-10(4)17(5)14(11)20/h8-9H,6-7H2,1-5H3,(H,15,19)
InChIKeyXZGOQUMVLZMPCR-UHFFFAOYSA-N
XLogP0.32
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-Dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo(3,4-d)pyrimidin-4-one dihydrochloride hydrate
CID 75530977
2-methyl-3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one hydrochloride
CID 136666284
(2S)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
CID 125168747
2-methyl-5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108511
2-methyl-6-(2,2,2-trifluoroacetyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 137308006
2,3-Dimethyl-6,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4(5H)-one
CID 51072226
2-methyl-3-(2,2,2-trifluoroethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-one
CID 83895444
2-(aminomethyl)-6-(2,2,2-trifluoroethyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136311424
2-amino-N-[(2R)-1-(2,3-dimethyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-1-oxobutan-2-yl]-2-methylpropanamide
CID 59959661
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-methylacetamide
CID 60092752
2-[2,4-dimethyl-5-(methylamino)-6-oxopyrimidin-1-yl]-N-ethylacetamide
CID 60092907
tert-Butyl 2-methyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 136011116

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide (CID 118786245) is 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide is Cc1nc2c(c(=O)n1C)CN(C(C)C(=O)NC(C)C)C2.
What is the InChIKey of 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide?
The InChIKey is XZGOQUMVLZMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-8(2)15-13(19)9(3)18-6-11-12(7-18)16-10(4)17(5)14(11)20/h8-9H,6-7H2,1-5H3,(H,15,19).
What are the key properties of 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide?
2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide has a molecular weight of 278.36 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 118786245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).