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

C19H27N5O4 — CID 72920554

IUPAC2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-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)N3CCOCC3)C1)C2
InChIInChI=1S/C19H27N5O4/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)23-3-5-28-6-4-23/h13-14,20H,3-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyMXHSHIXXKDUYET-ZIAGYGMSSA-N
MW389.46 g/mol
LogP-0.98
Rot. Bonds2

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

2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 72920554) has the molecular formula C19H27N5O4 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID72920554
Molecular FormulaC19H27N5O4
Molecular Weight389.46 g/mol
Exact Mass389.21
IUPAC Name2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-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)N3CCOCC3)C1)C2
InChIInChI=1S/C19H27N5O4/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)23-3-5-28-6-4-23/h13-14,20H,3-11H2,1-2H3/t13-,14-/m1/s1
InChIKeyMXHSHIXXKDUYET-ZIAGYGMSSA-N
XLogP-0.98
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 5-0.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
6-{[1-(methoxyacetyl)-3-piperidinyl]carbonyl}-2,3-dimethyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72872223
6-[(3R)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97194443
6-[(3S)-1-(2-methoxyacetyl)piperidine-3-carbonyl]-2,3-dimethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 97194444
7-{[1-(2-methoxyethyl)-6-oxopiperidin-3-yl]carbonyl}-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136015722
6-[(1-isopropyl-3-piperidinyl)carbonyl]-2-methyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136217041
2-methyl-6-[(3R,5S)-5-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136218442
7-[(3R)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136706463
7-[(3S)-1-(2-methoxyethyl)-6-oxopiperidine-3-carbonyl]-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136706464
2-methyl-6-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136831941
2-methyl-6-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136831942
1-(2-methoxyethyl)-N-[(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 136930331

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 72920554) is 2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-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-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-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)N3CCOCC3)C1)C2.
What is the InChIKey of 2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is MXHSHIXXKDUYET-ZIAGYGMSSA-N. The full InChI is InChI=1S/C19H27N5O4/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)23-3-5-28-6-4-23/h13-14,20H,3-11H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of 2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 389.46 g/mol, XLogP of -0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[(3R,5R)-5-(morpholine-4-carbonyl)piperidine-3-carbonyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 72920554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).