2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

C14H20N4O3 — CID 95725995

IUPAC2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C[C@H]1COCCN1)C2
InChIInChI=1S/C14H20N4O3/c1-9-16-12-7-18(6-11(12)14(20)17(9)2)13(19)5-10-8-21-4-3-15-10/h10,15H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyBZMWIEFXFPEVSV-JTQLQIEISA-N
MW292.34 g/mol
LogP-0.69
Rot. Bonds2

About 2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one

2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 95725995) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID95725995
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(C(=O)C[C@H]1COCCN1)C2
InChIInChI=1S/C14H20N4O3/c1-9-16-12-7-18(6-11(12)14(20)17(9)2)13(19)5-10-8-21-4-3-15-10/h10,15H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyBZMWIEFXFPEVSV-JTQLQIEISA-N
XLogP-0.69
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethyl-6-(3-morpholinylacetyl)-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 56910816
2,3-dimethyl-6-[2-[(3R)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 95725994
2,4-dimethyl-5-[1-(2-morpholin-4-ylethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091255
2,4-dimethyl-5-[1-(3-morpholin-4-ylpropylamino)ethyl]-1H-pyrimidin-6-one
CID 136091300
2,4-dimethyl-5-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136091426
N-cyclopentyl-2-{4-[(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetyl]-3-morpholinyl}acetamide
CID 136112862
N-cyclopentyl-2-[(3S)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide
CID 136740194
N-cyclopentyl-2-[(3R)-4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]morpholin-3-yl]acetamide
CID 136740195
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911221
2,4-dimethyl-5-morpholin-3-yl-1H-pyrimidin-6-one
CID 136921530
2-(4-Methylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941238
2-(4-Propylmorpholin-2-yl)-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
CID 136941292

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one (CID 95725995) is 2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(C(=O)C[C@H]1COCCN1)C2.
What is the InChIKey of 2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is BZMWIEFXFPEVSV-JTQLQIEISA-N. The full InChI is InChI=1S/C14H20N4O3/c1-9-16-12-7-18(6-11(12)14(20)17(9)2)13(19)5-10-8-21-4-3-15-10/h10,15H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one?
2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 292.34 g/mol, XLogP of -0.69, 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-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 95725995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).