4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

C16H28N4O — CID 136805326

IUPAC4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-4-9-20(11-13-7-5-6-8-17-13)14-10-15(21)19-16(18-14)12(2)3/h10,12-13,17H,4-9,11H2,1-3H3,(H,18,19,21)
InChIKeyHWULFFICFWECPX-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.25
Rot. Bonds6

About 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one

4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136805326) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136805326
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCN(CC1CCCCN1)c1cc(=O)[nH]c(C(C)C)n1
InChIInChI=1S/C16H28N4O/c1-4-9-20(11-13-7-5-6-8-17-13)14-10-15(21)19-16(18-14)12(2)3/h10,12-13,17H,4-9,11H2,1-3H3,(H,18,19,21)
InChIKeyHWULFFICFWECPX-UHFFFAOYSA-N
XLogP2.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Isopropyl-6-(piperidinomethyl)-4-pyrimidinol
CID 135472879
2-isopropyl-6-[(2-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046574
6-(1,4'-bipiperidin-1'-ylmethyl)-2-isopropylpyrimidin-4(3{H})-one
CID 136087954
6-[(4-cyclohexylpiperazino)methyl]-2-isopropyl-4(3H)-pyrimidinone
CID 136087957
2-(5,6-dimethylpiperidin-2-yl)-1H-pyrimidin-6-one
CID 57306466
2-(cyclobutylmethyl)-5-methanimidoyl-4-[(1-methylpiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136953189
(7E)-8-(methylaminomethyl)-5-methylimino-2,6,10,14,19-pentazatricyclo[12.3.1.13,7]nonadeca-3,7-diene-9,13-dione
CID 155701224
4-hydroxy-2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 55221569
2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 63362942
2-(1-piperazin-1-ylbutyl)-1H-pyrimidin-6-one
CID 63362943
2-(Aminomethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84687782
2-(1-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699557

Frequently Asked Questions

What is the IUPAC name of 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136805326) is 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CCCN(CC1CCCCN1)c1cc(=O)[nH]c(C(C)C)n1.
What is the InChIKey of 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is HWULFFICFWECPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-9-20(11-13-7-5-6-8-17-13)14-10-15(21)19-16(18-14)12(2)3/h10,12-13,17H,4-9,11H2,1-3H3,(H,18,19,21).
What are the key properties of 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-2-ylmethyl(propyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).