1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one

C14H20N4O — CID 175795051

IUPAC1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)N1CCc2cncnc2C1
InChIInChI=1S/C14H20N4O/c19-14(4-7-17-5-1-2-6-17)18-8-3-12-9-15-11-16-13(12)10-18/h9,11H,1-8,10H2
InChIKeyBYRAVOTVIWMEHN-UHFFFAOYSA-N
MW260.34 g/mol
LogP0.85
Rot. Bonds3

About 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 175795051) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID175795051
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCC1)N1CCc2cncnc2C1
InChIInChI=1S/C14H20N4O/c19-14(4-7-17-5-1-2-6-17)18-8-3-12-9-15-11-16-13(12)10-18/h9,11H,1-8,10H2
InChIKeyBYRAVOTVIWMEHN-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one with MolForge

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Related Compounds

3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981584
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylpropan-1-one
CID 110688293
3-[3-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3-oxopropyl]quinazolin-4-one
CID 72719485
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-5-phenylpentane-1,5-dione
CID 121145050
3-cyclohexyl-1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 71805764
3-pyrrolidin-1-yl-1-(1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-5-yl)propan-1-one
CID 112535595
2-cyclohexyl-1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
CID 90621003
(2R)-2-cyclopentyloxy-1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)butan-1-one
CID 97213255
ethane;7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 143170671
1-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 95291946
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-ethoxyethanone
CID 90620861
N-(3,4-dichlorophenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 162377008

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 175795051) is 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCCC1)N1CCc2cncnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BYRAVOTVIWMEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-14(4-7-17-5-1-2-6-17)18-8-3-12-9-15-11-16-13(12)10-18/h9,11H,1-8,10H2.
What are the key properties of 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 260.34 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 175795051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).