2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one

C13H22N4O — CID 12502635

IUPAC2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCCCCn1c(N)nc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H22N4O/c1-2-3-9-17-12(18)10-11(15-13(17)14)16-7-5-4-6-8-16/h10H,2-9H2,1H3,(H2,14,15)
InChIKeyWCRROSSUAFQEQN-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.62
Rot. Bonds4

About 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one

2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one (PubChem CID 12502635) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one
PubChem CID12502635
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCCCCn1c(N)nc(N2CCCCC2)cc1=O
InChIInChI=1S/C13H22N4O/c1-2-3-9-17-12(18)10-11(15-13(17)14)16-7-5-4-6-8-16/h10H,2-9H2,1H3,(H2,14,15)
InChIKeyWCRROSSUAFQEQN-UHFFFAOYSA-N
XLogP1.62
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
1,3-Dimethyl-6-(piperidinomethyleneamino)pyrimidine-2,4-dione
CID 129789057
2-amino-6-[4-(5-fluoropentyl)piperazin-1-yl]pyrimidin-4(3H)-one
CID 136663750
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
6-Amino-2-(3-methyl-1-piperidinyl)-4(3H)-pyrimidinone
CID 135646473
N-pentyl-N-[N'-(N'-pentylcarbamimidoyl)carbamimidoyl]prop-2-enamide
CID 60024222
2,3-Dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
2-(4-Aminopiperidin-1-yl)-6-chloro-3-ethylpyrimidin-4-one
CID 123183196
6-amino-2-piperidin-1-ylpyrimidin-4(3H)-one
CID 135587490
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 175761646
6-Amino-2-(4-amino-4-methylpiperidin-1-yl)-3-methylpyrimidin-4-one
CID 175829400

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one (CID 12502635) is 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one is CCCCn1c(N)nc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one?
The InChIKey is WCRROSSUAFQEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-3-9-17-12(18)10-11(15-13(17)14)16-7-5-4-6-8-16/h10H,2-9H2,1H3,(H2,14,15).
What are the key properties of 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one?
2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one has a molecular weight of 250.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-butyl-6-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 12502635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).