2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one

C14H24N4O — CID 136740890

IUPAC2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1cc(=O)[nH]c(N2CCC(CN)CC2)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)11-8-12(19)17-13(16-11)18-6-4-10(9-15)5-7-18/h8,10H,4-7,9,15H2,1-3H3,(H,16,17,19)
InChIKeyUTZHZKZZQJKYEW-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.24
Rot. Bonds2

About 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one

2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one (PubChem CID 136740890) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one
PubChem CID136740890
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one
SMILESCC(C)(C)c1cc(=O)[nH]c(N2CCC(CN)CC2)n1
InChIInChI=1S/C14H24N4O/c1-14(2,3)11-8-12(19)17-13(16-11)18-6-4-10(9-15)5-7-18/h8,10H,4-7,9,15H2,1-3H3,(H,16,17,19)
InChIKeyUTZHZKZZQJKYEW-UHFFFAOYSA-N
XLogP1.24
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethyl-2-(piperidin-1-YL)pyrimidin-4-OL
CID 135573221
2-(4-Methylpiperidin-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 135621818
2-[3-(4-methylpiperidin-1-yl)propylamino]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741336
2-[4-(aminomethyl)piperidin-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136741445
6-methyl-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135629605
6-tert-Butyl-2-(1-piperazinyl)-4(3H)-pyrimidinone, AldrichCPR
CID 135889466
2-[(1-cyclohexylpiperidin-4-yl)amino]-4-ethyl-1H-pyrimidin-6-one
CID 155900879
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
6-(3-methylbutyl)-2-(piperidin-1-yl)pyrimidin-4(3H)-one
CID 135645679
4-tert-butyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 135762393
2-(3-ethenylpiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 136127209
2-(4-ethenylpiperidin-1-yl)-4-methyl-1H-pyrimidin-6-one
CID 136127220

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one (CID 136740890) is 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one is CC(C)(C)c1cc(=O)[nH]c(N2CCC(CN)CC2)n1.
What is the InChIKey of 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one?
The InChIKey is UTZHZKZZQJKYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)11-8-12(19)17-13(16-11)18-6-4-10(9-15)5-7-18/h8,10H,4-7,9,15H2,1-3H3,(H,16,17,19).
What are the key properties of 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one?
2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)piperidin-1-yl]-4-tert-butyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136740890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).