2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C11H15N5O2 — CID 177238575

IUPAC2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCCN(c2nc3c(c(=O)[nH]2)CNC3)C1=O
InChIInChI=1S/C11H15N5O2/c1-15-3-2-4-16(11(15)18)10-13-8-6-12-5-7(8)9(17)14-10/h12H,2-6H2,1H3,(H,13,14,17)
InChIKeySFFVABRKIYSZRM-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.37
Rot. Bonds1

About 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 177238575) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID177238575
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCCN(c2nc3c(c(=O)[nH]2)CNC3)C1=O
InChIInChI=1S/C11H15N5O2/c1-15-3-2-4-16(11(15)18)10-13-8-6-12-5-7(8)9(17)14-10/h12H,2-6H2,1H3,(H,13,14,17)
InChIKeySFFVABRKIYSZRM-UHFFFAOYSA-N
XLogP-0.37
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-hydroxy-5,6-dihydro-7H-pyrrolo(3,4-d)pyrimidin-7-one
CID 135426860
4-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 135515951
2,3-dimethyl-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
CID 136325826
4,5-dimethyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137095087
6-[(2-amino-4,5-dihydroimidazol-1-yl)methyl]-5-methyl-1H-pyrimidine-2,4-dione
CID 20668499
(4S)-4,9-dimethyl-6-(methylamino)-2-propan-2-yl-3,4-dihydropyrazino[1,2-c]pyrimidine-1,8-dione
CID 129096709
6,7-dimethyl-1H,2H,3H,5H-imidazo[1,2-a]pyrimidin-5-one
CID 135581429
2-amino-1H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidin-4-one
CID 135740415
ethyl 2-amino-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6(4H)-carboxylate
CID 136037264
6-methyl-2-(propan-2-ylamino)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136040540
2-amino-6-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136117486
3-(2-amino-6-oxo-7,8-dihydro-1H-purin-9-yl)-N-[2-(diethylamino)ethyl]propanamide
CID 136436513

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 177238575) is 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CN1CCCN(c2nc3c(c(=O)[nH]2)CNC3)C1=O.
What is the InChIKey of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is SFFVABRKIYSZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-15-3-2-4-16(11(15)18)10-13-8-6-12-5-7(8)9(17)14-10/h12H,2-6H2,1H3,(H,13,14,17).
What are the key properties of 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 249.27 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-oxo-1,3-diazinan-1-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 177238575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).