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

C12H18N4O — CID 137015060

IUPAC2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCCC(c2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C12H18N4O/c1-16-4-2-3-8(7-16)11-14-10-6-13-5-9(10)12(17)15-11/h8,13H,2-7H2,1H3,(H,14,15,17)
InChIKeyJTAYOOLMYHDLMA-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.18
Rot. Bonds1

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

2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 137015060) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID137015060
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCN1CCCC(c2nc3c(c(=O)[nH]2)CNC3)C1
InChIInChI=1S/C12H18N4O/c1-16-4-2-3-8(7-16)11-14-10-6-13-5-9(10)12(17)15-11/h8,13H,2-7H2,1H3,(H,14,15,17)
InChIKeyJTAYOOLMYHDLMA-UHFFFAOYSA-N
XLogP0.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-(1-methylpyrrolidin-3-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115042933
2-(thian-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941325
2-(1-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine
CID 117166850
N-methyl-2-(1-methylpiperidin-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 175661679
2-(4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941583
2-methyl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one;hydrochloride
CID 136666284
4-cyclopropyl-2-(1,4-dimethyl-1,4-diazepan-2-yl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739614
2-[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]-6-(cyclopropanecarbonyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136774685
2-[(3S)-1-[(1R,3S)-3-methoxycyclohexanecarbonyl]piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136899364
2-[1-(2-fluorobenzoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795630
6-methyl-2-[(3S)-1-(3-phenylpropanoyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869411
2-[(3R)-1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136869432

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 137015060) is 2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is CN1CCCC(c2nc3c(c(=O)[nH]2)CNC3)C1.
What is the InChIKey of 2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is JTAYOOLMYHDLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16-4-2-3-8(7-16)11-14-10-6-13-5-9(10)12(17)15-11/h8,13H,2-7H2,1H3,(H,14,15,17).
What are the key properties of 2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 234.30 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-3-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).