1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one

C16H24N4O — CID 131683664

IUPAC1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one
SMILESCC(C)N1CC2CCC(C1)N2C(=O)CCc1cncnc1
InChIInChI=1S/C16H24N4O/c1-12(2)19-9-14-4-5-15(10-19)20(14)16(21)6-3-13-7-17-11-18-8-13/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3
InChIKeyGAZLNFOAFSEORU-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.49
Rot. Bonds4

About 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one

1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one (PubChem CID 131683664) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one
PubChem CID131683664
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one
SMILESCC(C)N1CC2CCC(C1)N2C(=O)CCc1cncnc1
InChIInChI=1S/C16H24N4O/c1-12(2)19-9-14-4-5-15(10-19)20(14)16(21)6-3-13-7-17-11-18-8-13/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3
InChIKeyGAZLNFOAFSEORU-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[7-(2-methylpropyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131683938
5-methyl-2-(3-pyrimidin-5-ylpropanoyl)-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 131682883
3-methyl-1-(3-pyrimidin-5-ylpropanoyl)azetidine-3-carboxylic acid
CID 167921042
3-pyrimidin-5-ylpropanamide
CID 91363418
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-pyridin-4-ylpropan-1-one
CID 78995399
1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 137444403
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 81487520
3-[2-(1-propan-2-ylazetidin-3-yl)pyrazol-3-yl]propanoic acid
CID 105499187
1-(5-prop-2-enoxy-2-azabicyclo[2.2.1]heptan-2-yl)-3-pyrimidin-5-ylpropan-1-one
CID 131683948
1-[(3aR,7S,7aS)-7-(dimethylamino)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131683667
methyl 3-pyrimidin-5-ylpropanoate
CID 18470121
1-[(2R,3aR,4R,8aR)-2-(aminomethyl)-4-hydroxy-3a-methyl-2,3,4,5,6,7,8,8a-octahydrocyclohepta[b]pyrrol-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110143639

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one?
The IUPAC name of 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one (CID 131683664) is 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one.
What is the SMILES notation for 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one?
The canonical SMILES for 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one is CC(C)N1CC2CCC(C1)N2C(=O)CCc1cncnc1.
What is the InChIKey of 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one?
The InChIKey is GAZLNFOAFSEORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)19-9-14-4-5-15(10-19)20(14)16(21)6-3-13-7-17-11-18-8-13/h7-8,11-12,14-15H,3-6,9-10H2,1-2H3.
What are the key properties of 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one?
1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)-3-pyrimidin-5-ylpropan-1-one is sourced from PubChem (CID 131683664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).