4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C13H22N4O2 — CID 136869155

IUPAC4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2OC)C(CN)C1
InChIInChI=1S/C13H22N4O2/c1-3-9-4-5-17(10(6-9)7-14)12-11(19-2)13(18)16-8-15-12/h8-10H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyXTVBKMAZWIWQCE-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.73
Rot. Bonds4

About 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136869155) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136869155
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCCC1CCN(c2nc[nH]c(=O)c2OC)C(CN)C1
InChIInChI=1S/C13H22N4O2/c1-3-9-4-5-17(10(6-9)7-14)12-11(19-2)13(18)16-8-15-12/h8-10H,3-7,14H2,1-2H3,(H,15,16,18)
InChIKeyXTVBKMAZWIWQCE-UHFFFAOYSA-N
XLogP0.73
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
4-(3-amino-4-methylpyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136677201
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
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 136687980
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
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
5-methoxy-4-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136731507
4-[(3,3-dimethylpiperidin-2-yl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136733812
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136742758
5-methoxy-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778289

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136869155) is 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is CCC1CCN(c2nc[nH]c(=O)c2OC)C(CN)C1.
What is the InChIKey of 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XTVBKMAZWIWQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-9-4-5-17(10(6-9)7-14)12-11(19-2)13(18)16-8-15-12/h8-10H,3-7,14H2,1-2H3,(H,15,16,18).
What are the key properties of 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)-4-ethylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136869155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).