2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C16H24N4O2 — CID 136822754

IUPAC2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)CC[C@@H]1CCCN(C)C1)C2
InChIInChI=1S/C16H24N4O2/c1-11-17-14-10-20(9-13(14)16(22)18-11)15(21)6-5-12-4-3-7-19(2)8-12/h12H,3-10H2,1-2H3,(H,17,18,22)/t12-/m0/s1
InChIKeyJCFGNWCELBKJJU-LBPRGKRZSA-N
MW304.39 g/mol
LogP1.04
Rot. Bonds3

About 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136822754) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136822754
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)CC[C@@H]1CCCN(C)C1)C2
InChIInChI=1S/C16H24N4O2/c1-11-17-14-10-20(9-13(14)16(22)18-11)15(21)6-5-12-4-3-7-19(2)8-12/h12H,3-10H2,1-2H3,(H,17,18,22)/t12-/m0/s1
InChIKeyJCFGNWCELBKJJU-LBPRGKRZSA-N
XLogP1.04
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-{3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1-piperidinyl}acetamide
CID 70756625
3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-1-piperidinecarboxamide
CID 72851702
3-[(2,3-dimethyl-4-oxo-3,4,5,7-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)carbonyl]-N,N-dimethyl-1-piperidinecarboxamide
CID 72870896
6-{[1-(cyclobutylcarbonyl)-4-piperidinyl]carbonyl}-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72873392
6-[(1-acetyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72887851
6-[(1-cyclopentyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72908888
2-methyl-6-[3-(1-methyl-3-piperidinyl)propanoyl]-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136216733
2-(cyclopropylmethyl)-7-[3-(1-methyl-3-piperidinyl)propanoyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136216809
2-methyl-6-{3-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]propanoyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136217038
2,3-dimethyl-6-{[(3R*,5R*)-5-(pyrrolidin-1-ylcarbonyl)piperidin-3-yl]carbonyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72871662
cis-(1R,2S)-N-butyl-2-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)cyclohexane-1-carboxamide
CID 70762235
6-[(1-ethyl-6-oxo-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 70756341

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 136822754) is 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)CC[C@@H]1CCCN(C)C1)C2.
What is the InChIKey of 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is JCFGNWCELBKJJU-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-17-14-10-20(9-13(14)16(22)18-11)15(21)6-5-12-4-3-7-19(2)8-12/h12H,3-10H2,1-2H3,(H,17,18,22)/t12-/m0/s1.
What are the key properties of 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136822754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).