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

C17H26N4O2 — CID 97198512

IUPAC2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)CC[C@H]1CCCCN1C)C2
InChIInChI=1S/C17H26N4O2/c1-12-18-15-11-21(10-14(15)17(23)20(12)3)16(22)8-7-13-6-4-5-9-19(13)2/h13H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyQZKUNJMPLCIPAX-CYBMUJFWSA-N
MW318.42 g/mol
LogP1.20
Rot. Bonds3

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

2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 97198512) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID97198512
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)CC[C@H]1CCCCN1C)C2
InChIInChI=1S/C17H26N4O2/c1-12-18-15-11-21(10-14(15)17(23)20(12)3)16(22)8-7-13-6-4-5-9-19(13)2/h13H,4-11H2,1-3H3/t13-/m1/s1
InChIKeyQZKUNJMPLCIPAX-CYBMUJFWSA-N
XLogP1.20
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-6-[3-[(3S)-1-methylpiperidin-3-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97203694
2-[(3R)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
CID 97138768
2-[(3S)-3-(2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carbonyl)piperidin-1-yl]acetamide
CID 97138769
3-(1-methylpiperidin-2-yl)-1-morpholin-4-ylpropan-1-one
CID 110849364
N-[[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]methyl]-2,3-dimethyl-4-oxo-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 126439808
6-(1-cyclopropyl-5-oxopyrrolidine-3-carbonyl)-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 72873270
1-[(4-methoxyphenyl)methyl]-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97210382
1-[(4-fluorophenyl)methyl]-4-[3-[(2S)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97197113
1-(3-methoxyphenyl)-4-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]piperazin-2-one
CID 97188104
3-[(2R)-1-methylpiperidin-2-yl]-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 95136927
sodium 3-(1-methylpiperidin-2-yl)propanoate
CID 172639720
1-[4-[(6-chloro-3-pyridinyl)methyl]piperazin-1-yl]-3-[(2R)-1-methylpiperidin-2-yl]propan-1-one
CID 97198726

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 97198512) is 2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)CC[C@H]1CCCCN1C)C2.
What is the InChIKey of 2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is QZKUNJMPLCIPAX-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-18-15-11-21(10-14(15)17(23)20(12)3)16(22)8-7-13-6-4-5-9-19(13)2/h13H,4-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 318.42 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[3-[(2R)-1-methylpiperidin-2-yl]propanoyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 97198512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).