3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one

C15H21N3O — CID 71805764

IUPAC3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1Cc2cncnc2C1
InChIInChI=1S/C15H21N3O/c19-15(7-6-12-4-2-1-3-5-12)18-9-13-8-16-11-17-14(13)10-18/h8,11-12H,1-7,9-10H2
InChIKeyFUZZQUYWNYMYQQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.68
Rot. Bonds3

About 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one

3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one (PubChem CID 71805764) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
PubChem CID71805764
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
SMILESO=C(CCC1CCCCC1)N1Cc2cncnc2C1
InChIInChI=1S/C15H21N3O/c19-15(7-6-12-4-2-1-3-5-12)18-9-13-8-16-11-17-14(13)10-18/h8,11-12H,1-7,9-10H2
InChIKeyFUZZQUYWNYMYQQ-UHFFFAOYSA-N
XLogP2.68
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90621003
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 175795051
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 90587166
2-[2-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]isoindole-1,3-dione
CID 90585397
5-[4-(3-cyclopentylpropanoyl)piperazine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120684948
3-cyclopentyl-1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)propan-1-one
CID 91917843
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-[5-bromo-2-(difluoromethoxy)phenyl]-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 90587170
3-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133283854
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-phenylpentane-1,5-dione
CID 121145050
3-cyclohexyl-1-[3-(1,3-thiazol-2-yloxy)azetidin-1-yl]propan-1-one
CID 90627445
5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl-(5-ethyl-1,3-thiazol-2-yl)methanone
CID 154742387

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one (CID 71805764) is 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one is O=C(CCC1CCCCC1)N1Cc2cncnc2C1.
What is the InChIKey of 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
The InChIKey is FUZZQUYWNYMYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c19-15(7-6-12-4-2-1-3-5-12)18-9-13-8-16-11-17-14(13)10-18/h8,11-12H,1-7,9-10H2.
What are the key properties of 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one?
3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one has a molecular weight of 259.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 71805764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).