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

C12H20N4O2 — CID 136912679

IUPAC4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C)(CN)CC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-12(7-13)3-5-16(6-4-12)10-9(18-2)11(17)15-8-14-10/h8H,3-7,13H2,1-2H3,(H,14,15,17)
InChIKeyXWELJAPOBTYKHU-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.34
Rot. Bonds3

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

4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136912679) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136912679
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC(C)(CN)CC2)nc[nH]c1=O
InChIInChI=1S/C12H20N4O2/c1-12(7-13)3-5-16(6-4-12)10-9(18-2)11(17)15-8-14-10/h8H,3-7,13H2,1-2H3,(H,14,15,17)
InChIKeyXWELJAPOBTYKHU-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
5-methoxy-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792725
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-(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
5-methoxy-4-[(4-methyloxan-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136723599
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
4-[(1-amino-3-methylpentan-3-yl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136757098

Frequently Asked Questions

What is the IUPAC name of 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136912679) is 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC(C)(CN)CC2)nc[nH]c1=O.
What is the InChIKey of 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is XWELJAPOBTYKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(7-13)3-5-16(6-4-12)10-9(18-2)11(17)15-8-14-10/h8H,3-7,13H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[4-(aminomethyl)-4-methylpiperidin-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-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136912679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).