2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C19H29N5O2 — CID 90648897

IUPAC2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCCN1C1CCN(C)CC1)C2
InChIInChI=1S/C19H29N5O2/c1-13-20-16-12-23(11-15(16)18(25)22(13)3)19(26)17-5-4-8-24(17)14-6-9-21(2)10-7-14/h14,17H,4-12H2,1-3H3/t17-/m0/s1
InChIKeyWVEWGNFJRYHWDC-KRWDZBQOSA-N
MW359.47 g/mol
LogP0.49
Rot. Bonds2

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

2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 90648897) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID90648897
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCCN1C1CCN(C)CC1)C2
InChIInChI=1S/C19H29N5O2/c1-13-20-16-12-23(11-15(16)18(25)22(13)3)19(26)17-5-4-8-24(17)14-6-9-21(2)10-7-14/h14,17H,4-12H2,1-3H3/t17-/m0/s1
InChIKeyWVEWGNFJRYHWDC-KRWDZBQOSA-N
XLogP0.49
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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]-N,N-dimethyl-1-piperidinecarboxamide
CID 72870896
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
2,3-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
5-Propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione
CID 10824393
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
6-[(1-cyclopentyl-6-oxo-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72848870
2,3-Dimethyl-6-(1-propanoylpiperidine-3-carbonyl)-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72868898
6-[(1-isopropyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72884782
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
6-[(1-ethyl-3-methyl-3-piperidinyl)carbonyl]-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72892142

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 90648897) is 2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)[C@@H]1CCCN1C1CCN(C)CC1)C2.
What is the InChIKey of 2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is WVEWGNFJRYHWDC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-13-20-16-12-23(11-15(16)18(25)22(13)3)19(26)17-5-4-8-24(17)14-6-9-21(2)10-7-14/h14,17H,4-12H2,1-3H3/t17-/m0/s1.
What are the key properties of 2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 359.47 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[(2S)-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 90648897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).