5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one

C11H18N4O — CID 115114245

IUPAC5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one
SMILESCN1CCC(n2cnc(=O)c(CN)c2)CC1
InChIInChI=1S/C11H18N4O/c1-14-4-2-10(3-5-14)15-7-9(6-12)11(16)13-8-15/h7-8,10H,2-6,12H2,1H3
InChIKeyQYBOFJLBAZLRDS-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.03
Rot. Bonds2

About 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one

5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one (PubChem CID 115114245) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one
PubChem CID115114245
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one
SMILESCN1CCC(n2cnc(=O)c(CN)c2)CC1
InChIInChI=1S/C11H18N4O/c1-14-4-2-10(3-5-14)15-7-9(6-12)11(16)13-8-15/h7-8,10H,2-6,12H2,1H3
InChIKeyQYBOFJLBAZLRDS-UHFFFAOYSA-N
XLogP-0.03
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 82507601
5-(Aminomethyl)-3-propan-2-ylpyrimidin-4-one
CID 83873643
3-Methyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
CID 83883911
3-Methyl-5-(1-piperazin-1-ylethyl)pyrimidin-4-one
CID 83890794
6-oxo-N-(1-propylpiperidin-4-yl)-1,6-dihydropyrimidine-5-carboxamide
CID 91769883
N-(1-cyclopentylpiperidin-4-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 91771766
5-(2-ethylpiperidine-1-carbonyl)-1H-pyrimidin-6-one
CID 110856004
2-piperidin-1-yl-5-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 114206295
5-(Aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyrimidin-4-one
CID 115114233
5-(Aminomethyl)-1-piperidin-4-ylpyrimidin-4-one
CID 115114244
5-Amino-1-(1-methylpiperidin-4-yl)pyrimidin-4-one
CID 115114249
5-(Aminomethyl)-1-(piperidin-4-ylmethyl)pyrimidin-4-one
CID 115114268

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one (CID 115114245) is 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one is CN1CCC(n2cnc(=O)c(CN)c2)CC1.
What is the InChIKey of 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one?
The InChIKey is QYBOFJLBAZLRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-14-4-2-10(3-5-14)15-7-9(6-12)11(16)13-8-15/h7-8,10H,2-6,12H2,1H3.
What are the key properties of 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one?
5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one has a molecular weight of 222.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(1-methylpiperidin-4-yl)pyrimidin-4-one is sourced from PubChem (CID 115114245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).