8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C12H17N3O — CID 83888986

IUPAC8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNC1CCn2c(nc(C3CCC3)cc2=O)C1
InChIInChI=1S/C12H17N3O/c13-9-4-5-15-11(6-9)14-10(7-12(15)16)8-2-1-3-8/h7-9H,1-6,13H2
InChIKeyMBQKILYHNBLNEU-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.78
Rot. Bonds1

About 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 83888986) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID83888986
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESNC1CCn2c(nc(C3CCC3)cc2=O)C1
InChIInChI=1S/C12H17N3O/c13-9-4-5-15-11(6-9)14-10(7-12(15)16)8-2-1-3-8/h7-9H,1-6,13H2
InChIKeyMBQKILYHNBLNEU-UHFFFAOYSA-N
XLogP0.78
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-6-(piperidin-4-yl)pyrimidin-4-ol
CID 135876445
2-(3-methylbutyl)-6-(1-methylpiperidin-3-yl)pyrimidin-4(3H)-one
CID 135876481
6-{cis-3-[(1-isobutylpiperidin-4-yl)amino]cyclobutyl}pyrimidin-4(3H)-one
CID 136662065
2-Methyl-6-(piperidin-3-yl)pyrimidin-4-ol
CID 136072571
2-methyl-4-(1-methylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136483017
9-Methyl-2-propyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 12339722
8-Amino-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83875166
7-Amino-2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878483
8-Amino-2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878484
9-Amino-2-ethyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83878485
7-Amino-2-cyclopropyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83882531
8-Amino-2-cyclopropyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 83882532

Frequently Asked Questions

What is the IUPAC name of 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 83888986) is 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is NC1CCn2c(nc(C3CCC3)cc2=O)C1.
What is the InChIKey of 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MBQKILYHNBLNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-9-4-5-15-11(6-9)14-10(7-12(15)16)8-2-1-3-8/h7-9H,1-6,13H2.
What are the key properties of 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 219.29 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-2-cyclobutyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 83888986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).