2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C16H24N4O2 — CID 72920003

IUPAC2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCCCCN1C)C2
InChIInChI=1S/C16H24N4O2/c1-11-17-13-10-20(9-12(13)15(21)19(11)3)16(22)14-7-5-4-6-8-18(14)2/h14H,4-10H2,1-3H3
InChIKeyHUROXYUNKCFFJA-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.81
Rot. Bonds1

About 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72920003) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72920003
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C1CCCCCN1C)C2
InChIInChI=1S/C16H24N4O2/c1-11-17-13-10-20(9-12(13)15(21)19(11)3)16(22)14-7-5-4-6-8-18(14)2/h14H,4-10H2,1-3H3
InChIKeyHUROXYUNKCFFJA-UHFFFAOYSA-N
XLogP0.81
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

3-[2-(azepan-1-yl)-2-oxoethyl]-2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 7748097
2,3-dimethyl-6-[3-(1-methyl-2-piperidinyl)propanoyl]-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72889139
2,3-dimethyl-6-[3-[(2S)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97198511
2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97198512
2,3-dimethyl-6-[(2S)-1-methylazepane-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97205890
2,3-dimethyl-6-[(2R)-1-methylazepane-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97205891
6-{[rel-(3R,6S)-6-(dimethylamino)-1-methyl-3-azepanyl]carbonyl}-2-methyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 165427224

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72920003) is 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)C1CCCCCN1C)C2.
What is the InChIKey of 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is HUROXYUNKCFFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-17-13-10-20(9-12(13)15(21)19(11)3)16(22)14-7-5-4-6-8-18(14)2/h14H,4-10H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-(1-methylazepane-2-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72920003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).