2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C16H24N4O2 — CID 136831941

IUPAC2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)[C@@H]1CCCN(C(C)C)C1)C2
InChIInChI=1S/C16H24N4O2/c1-10(2)19-6-4-5-12(7-19)16(22)20-8-13-14(9-20)17-11(3)18-15(13)21/h10,12H,4-9H2,1-3H3,(H,17,18,21)/t12-/m1/s1
InChIKeySQVNVKUYEBZZKD-GFCCVEGCSA-N
MW304.39 g/mol
LogP1.04
Rot. Bonds2

About 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136831941) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136831941
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)[C@@H]1CCCN(C(C)C)C1)C2
InChIInChI=1S/C16H24N4O2/c1-10(2)19-6-4-5-12(7-19)16(22)20-8-13-14(9-20)17-11(3)18-15(13)21/h10,12H,4-9H2,1-3H3,(H,17,18,21)/t12-/m1/s1
InChIKeySQVNVKUYEBZZKD-GFCCVEGCSA-N
XLogP1.04
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-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-(cyclopropylmethyl)-7-[(1-isopropyl-3-piperidinyl)carbonyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136244440
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
1-cyclopentyl-N-[(6-hydroxy-2-methyl-4-pyrimidinyl)methyl]-3-piperidinecarboxamide
CID 136216795
2,3-dimethyl-7-[(6-oxopiperidin-3-yl)carbonyl]-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 50975927

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 136831941) is 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)[C@@H]1CCCN(C(C)C)C1)C2.
What is the InChIKey of 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is SQVNVKUYEBZZKD-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-10(2)19-6-4-5-12(7-19)16(22)20-8-13-14(9-20)17-11(3)18-15(13)21/h10,12H,4-9H2,1-3H3,(H,17,18,21)/t12-/m1/s1.
What are the key properties of 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 304.39 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136831941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).