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

C16H28N4O — CID 136805301

IUPAC4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CC2CCCCN2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H28N4O/c1-11(2)16-18-14(9-15(21)19-16)20(12(3)4)10-13-7-5-6-8-17-13/h9,11-13,17H,5-8,10H2,1-4H3,(H,18,19,21)
InChIKeyFKHJCBZOBWPLQN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.25
Rot. Bonds5

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

4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136805301) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136805301
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N(CC2CCCCN2)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C16H28N4O/c1-11(2)16-18-14(9-15(21)19-16)20(12(3)4)10-13-7-5-6-8-17-13/h9,11-13,17H,5-8,10H2,1-4H3,(H,18,19,21)
InChIKeyFKHJCBZOBWPLQN-UHFFFAOYSA-N
XLogP2.25
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136805301) is 4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N(CC2CCCCN2)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is FKHJCBZOBWPLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)16-18-14(9-15(21)19-16)20(12(3)4)10-13-7-5-6-8-17-13/h9,11-13,17H,5-8,10H2,1-4H3,(H,18,19,21).
What are the key properties of 4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[piperidin-2-ylmethyl(propan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136805301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).