4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

C13H22N4O2 — CID 136805344

IUPAC4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC1CCCNC1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C13H22N4O2/c1-3-17(8-10-5-4-6-14-7-10)12-11(19-2)13(18)16-9-15-12/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyQNLYUEZLRYKYCF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.60
Rot. Bonds5

About 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136805344) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136805344
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCCN(CC1CCCNC1)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C13H22N4O2/c1-3-17(8-10-5-4-6-14-7-10)12-11(19-2)13(18)16-9-15-12/h9-10,14H,3-8H2,1-2H3,(H,15,16,18)
InChIKeyQNLYUEZLRYKYCF-UHFFFAOYSA-N
XLogP0.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586348
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
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-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105
5-methoxy-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716214
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136805344) is 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is CCN(CC1CCCNC1)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is QNLYUEZLRYKYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-17(8-10-5-4-6-14-7-10)12-11(19-2)13(18)16-9-15-12/h9-10,14H,3-8H2,1-2H3,(H,15,16,18).
What are the key properties of 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl(piperidin-3-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136805344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).