4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one

C12H19N3O — CID 136957513

IUPAC4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CCCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C12H19N3O/c1-3-10-5-4-6-15(8-10)11-7-12(16)14-9(2)13-11/h7,10H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyKGWWVLCEMOETEG-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.70
Rot. Bonds2

About 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one

4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957513) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
PubChem CID136957513
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one
SMILESCCC1CCCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C12H19N3O/c1-3-10-5-4-6-15(8-10)11-7-12(16)14-9(2)13-11/h7,10H,3-6,8H2,1-2H3,(H,13,14,16)
InChIKeyKGWWVLCEMOETEG-UHFFFAOYSA-N
XLogP1.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-Dimethylpiperidino)methyl]-6-methyl-4-pyrimidinol
CID 135485286
5-chloro-2-methyl-4-[2-[(3R)-1-methylpiperidin-3-yl]ethylamino]-1H-pyrimidin-6-one
CID 137148245
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009787
2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009789
2-cyclopropyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009790
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009796
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

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one (CID 136957513) is 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is CCC1CCCN(c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is KGWWVLCEMOETEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-10-5-4-6-15(8-10)11-7-12(16)14-9(2)13-11/h7,10H,3-6,8H2,1-2H3,(H,13,14,16).
What are the key properties of 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one?
4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 221.30 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).