4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one

C12H20N4O — CID 136805350

IUPAC4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC1CCCNC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O/c1-2-16(8-10-4-3-5-13-7-10)11-6-12(17)15-9-14-11/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,17)
InChIKeyBYDJTGYQLNWMCK-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.60
Rot. Bonds4

About 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one

4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136805350) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
PubChem CID136805350
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(CC1CCCNC1)c1cc(=O)[nH]cn1
InChIInChI=1S/C12H20N4O/c1-2-16(8-10-4-3-5-13-7-10)11-6-12(17)15-9-14-11/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,17)
InChIKeyBYDJTGYQLNWMCK-UHFFFAOYSA-N
XLogP0.60
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Piperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136957380
4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136487742
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957965
6-(4-Fluoropiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 164648869
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431804
6-[3-(Fluoromethyl)piperidin-1-yl]-3-methyl-3,4-dihydropyrimidin-4-one
CID 172881015
N-{[4-fluoro-1-(1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 175648121
N-(2,2-difluoroethyl)-1-(1-methyl-6-oxopyrimidin-4-yl)piperidine-3-carboxamide
CID 177802488
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
4-(4-piperidin-4-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136205542
4-(3,3,5,5-tetramethylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136482268

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one (CID 136805350) is 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is CCN(CC1CCCNC1)c1cc(=O)[nH]cn1.
What is the InChIKey of 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is BYDJTGYQLNWMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-16(8-10-4-3-5-13-7-10)11-6-12(17)15-9-14-11/h6,9-10,13H,2-5,7-8H2,1H3,(H,14,15,17).
What are the key properties of 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one?
4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(piperidin-3-ylmethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136805350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).