4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

C12H20N4O2 — CID 136958190

IUPAC4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(C(C)N)C2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-8(13)9-4-3-5-16(6-9)11-10(18-2)12(17)15-7-14-11/h7-9H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyTVSPVZJKYWPVPT-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.34
Rot. Bonds3

About 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one

4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136958190) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136958190
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(C(C)N)C2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-8(13)9-4-3-5-16(6-9)11-10(18-2)12(17)15-7-14-11/h7-9H,3-6,13H2,1-2H3,(H,14,15,17)
InChIKeyTVSPVZJKYWPVPT-UHFFFAOYSA-N
XLogP0.34
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.34
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
4-[(2-amino-1-cyclopentylethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136672016
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-(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
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
2-[[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 136745653
5-methoxy-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750472

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136958190) is 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCCC(C(C)N)C2)nc[nH]c1=O.
What is the InChIKey of 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is TVSPVZJKYWPVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(13)9-4-3-5-16(6-9)11-10(18-2)12(17)15-7-14-11/h7-9H,3-6,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136958190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).