5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 137008974

IUPAC5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-8-4-3-5-14(6-8)10-9(16-2)11(15)13-7-12-10/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyLNJGBWURHPLXOL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.01
Rot. Bonds2

About 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one

5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137008974) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137008974
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O2/c1-8-4-3-5-14(6-8)10-9(16-2)11(15)13-7-12-10/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyLNJGBWURHPLXOL-UHFFFAOYSA-N
XLogP1.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009788
5-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009793
5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241481
5-methoxy-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756936
5-methoxy-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792725
5-methoxy-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586348
5-methoxy-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586411
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687974
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
5-methoxy-4-[(1-methoxycyclobutyl)methylamino]-1H-pyrimidin-6-one
CID 136696644
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 137008974) is 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is COc1c(N2CCCC(C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is LNJGBWURHPLXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-4-3-5-14(6-8)10-9(16-2)11(15)13-7-12-10/h7-8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137008974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).