(2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide

C15H24N4O2 — CID 125168758

IUPAC(2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
SMILESCc1nc2c(c(=O)n1C)CN([C@H](C)C(=O)NCC(C)C)C2
InChIInChI=1S/C15H24N4O2/c1-9(2)6-16-14(20)10(3)19-7-12-13(8-19)17-11(4)18(5)15(12)21/h9-10H,6-8H2,1-5H3,(H,16,20)/t10-/m1/s1
InChIKeyDFIUUNPURBKHSS-SNVBAGLBSA-N
MW292.38 g/mol
LogP0.57
Rot. Bonds4

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

(2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide (PubChem CID 125168758) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
PubChem CID125168758
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name(2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide
SMILESCc1nc2c(c(=O)n1C)CN([C@H](C)C(=O)NCC(C)C)C2
InChIInChI=1S/C15H24N4O2/c1-9(2)6-16-14(20)10(3)19-7-12-13(8-19)17-11(4)18(5)15(12)21/h9-10H,6-8H2,1-5H3,(H,16,20)/t10-/m1/s1
InChIKeyDFIUUNPURBKHSS-SNVBAGLBSA-N
XLogP0.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.57
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
(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-[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
2-Isopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-ol
CID 136108517
2-methyl-N-[(2-methyl-4-oxo-6H-pyrrolo[1,2-a]pyrimidin-3-yl)methyl]propanamide
CID 147485045
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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of (2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide (CID 125168758) is (2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for (2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for (2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide is Cc1nc2c(c(=O)n1C)CN([C@H](C)C(=O)NCC(C)C)C2.
What is the InChIKey of (2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is DFIUUNPURBKHSS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-9(2)6-16-14(20)10(3)19-7-12-13(8-19)17-11(4)18(5)15(12)21/h9-10H,6-8H2,1-5H3,(H,16,20)/t10-/m1/s1.
What are the key properties of (2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide?
(2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 125168758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).