2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C16H21N3O4 — CID 154854697

IUPAC2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)C1(C3CCCO3)CCCO1)C2
InChIInChI=1S/C16H21N3O4/c1-10-17-12-9-19(8-11(12)14(20)18-10)15(21)16(5-3-7-23-16)13-4-2-6-22-13/h13H,2-9H2,1H3,(H,17,18,20)
InChIKeyBCNHLOHJBFCASC-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.65
Rot. Bonds2

About 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 154854697) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID154854697
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)C1(C3CCCO3)CCCO1)C2
InChIInChI=1S/C16H21N3O4/c1-10-17-12-9-19(8-11(12)14(20)18-10)15(21)16(5-3-7-23-16)13-4-2-6-22-13/h13H,2-9H2,1H3,(H,17,18,20)
InChIKeyBCNHLOHJBFCASC-UHFFFAOYSA-N
XLogP0.65
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[cyclopentyl(methyl)amino]pyridine-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 155953799
(3aR,7aR)-2-[3-(2-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 136828970
(2-methyloxolan-2-yl)-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 119064820
2-methyl-6-[2-(4,5,6,7-tetrahydrobenzotriazol-1-yl)acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 155953802
N-[(2R)-2-cyclopentyl-2-phenylethyl]-2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 137167987
2-methyl-6-[2-[1-([1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-3-yl]acetyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 154816114
7-[2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]acetyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136948029
(1S,10R)-5-methyl-13-[(2R)-spiro[2.3]hexane-2-carbonyl]-4,6,13-triazatricyclo[8.2.1.03,8]trideca-3(8),4-dien-7-one
CID 136763852
2,3-dimethyl-5-(2-methyl-4-oxo-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-6-carbonyl)benzenesulfonamide
CID 136998498
6-[6-(1,3-benzodioxol-5-yl)naphthalene-2-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 175640735
6-[2-(4-fluorophenyl)-5-methyl-1H-imidazole-4-carbonyl]-2-methyl-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 146045935
2-amino-6-(4-phenyloxane-4-carbonyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 166354761

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 154854697) is 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)C1(C3CCCO3)CCCO1)C2.
What is the InChIKey of 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is BCNHLOHJBFCASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10-17-12-9-19(8-11(12)14(20)18-10)15(21)16(5-3-7-23-16)13-4-2-6-22-13/h13H,2-9H2,1H3,(H,17,18,20).
What are the key properties of 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 319.36 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(oxolan-2-yl)oxolane-2-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 154854697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).