2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

C16H24N4O3 — CID 136948050

IUPAC2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)CCC(C)N1CCOCC1)C2
InChIInChI=1S/C16H24N4O3/c1-11(19-5-7-23-8-6-19)3-4-15(21)20-9-13-14(10-20)17-12(2)18-16(13)22/h11H,3-10H2,1-2H3,(H,17,18,22)
InChIKeyIXZGSYQFZJEQCE-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.42
Rot. Bonds4

About 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one

2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136948050) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136948050
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(C(=O)CCC(C)N1CCOCC1)C2
InChIInChI=1S/C16H24N4O3/c1-11(19-5-7-23-8-6-19)3-4-15(21)20-9-13-14(10-20)17-12(2)18-16(13)22/h11H,3-10H2,1-2H3,(H,17,18,22)
InChIKeyIXZGSYQFZJEQCE-UHFFFAOYSA-N
XLogP0.42
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-{[(3R*,5R*)-5-(morpholin-4-ylcarbonyl)piperidin-3-yl]carbonyl}-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 72920554
2,3-dimethyl-6-[2-[(3R)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 95725994
2,3-dimethyl-6-[2-[(3S)-morpholin-3-yl]acetyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-4-one
CID 95725995
2,4-dimethyl-5-[1-(2-morpholin-4-ylethylamino)ethyl]-1H-pyrimidin-6-one
CID 136091255
2,4-dimethyl-5-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyrimidin-6-one
CID 136091426
6-[(1-isopropyl-3-piperidinyl)carbonyl]-2-methyl-3,5,6,7-tetrahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
CID 136217041
5-[2-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136224556
5-[2-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136706829
5-[2-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136706830
5-[2-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136706831
5-[2-[(3S,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136706832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one (CID 136948050) is 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(C(=O)CCC(C)N1CCOCC1)C2.
What is the InChIKey of 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is IXZGSYQFZJEQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-11(19-5-7-23-8-6-19)3-4-15(21)20-9-13-14(10-20)17-12(2)18-16(13)22/h11H,3-10H2,1-2H3,(H,17,18,22).
What are the key properties of 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one?
2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 320.39 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-morpholin-4-ylpentanoyl)-5,7-dihydro-3H-pyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136948050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).