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

C19H27N5O3 — CID 72871662

IUPAC2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CNC[C@H](C(=O)N3CCCC3)C1)C2
InChIInChI=1S/C19H27N5O3/c1-12-21-16-11-24(10-15(16)19(27)22(12)2)18(26)14-7-13(8-20-9-14)17(25)23-5-3-4-6-23/h13-14,20H,3-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyKESVHWFCAGKGTL-ZIAGYGMSSA-N
MW373.46 g/mol
LogP-0.22
Rot. Bonds2

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

2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72871662) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72871662
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CNC[C@H](C(=O)N3CCCC3)C1)C2
InChIInChI=1S/C19H27N5O3/c1-12-21-16-11-24(10-15(16)19(27)22(12)2)18(26)14-7-13(8-20-9-14)17(25)23-5-3-4-6-23/h13-14,20H,3-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyKESVHWFCAGKGTL-ZIAGYGMSSA-N
XLogP-0.22
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72871662) is 2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)[C@H]1CNC[C@H](C(=O)N3CCCC3)C1)C2.
What is the InChIKey of 2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is KESVHWFCAGKGTL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12-21-16-11-24(10-15(16)19(27)22(12)2)18(26)14-7-13(8-20-9-14)17(25)23-5-3-4-6-23/h13-14,20H,3-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 373.46 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[(3R,5R)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72871662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).