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

C11H18N4O — CID 12502633

IUPAC2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCCn1c(N)nc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-2-15-10(16)8-9(13-11(15)12)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyXGCLTJYUTRULSS-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.84
Rot. Bonds2

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

2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one (PubChem CID 12502633) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one
PubChem CID12502633
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one
SMILESCCn1c(N)nc(N2CCCCC2)cc1=O
InChIInChI=1S/C11H18N4O/c1-2-15-10(16)8-9(13-11(15)12)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H2,12,13)
InChIKeyXGCLTJYUTRULSS-UHFFFAOYSA-N
XLogP0.84
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.84
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-ethyl-6-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one (CID 12502633) is 2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one is CCn1c(N)nc(N2CCCCC2)cc1=O.
What is the InChIKey of 2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one?
The InChIKey is XGCLTJYUTRULSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-15-10(16)8-9(13-11(15)12)14-6-4-3-5-7-14/h8H,2-7H2,1H3,(H2,12,13).
What are the key properties of 2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one?
2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-ethyl-6-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 12502633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).