4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

C12H20N4O — CID 136873267

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC[C@@H](N)C2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8(2)12-14-10(6-11(17)15-12)16-5-3-4-9(13)7-16/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15,17)/t9-/m1/s1
InChIKeyJFCKLALUTBKXMC-SECBINFHSA-N
MW236.32 g/mol
LogP0.82
Rot. Bonds2

About 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one

4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136873267) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136873267
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC[C@@H](N)C2)cc(=O)[nH]1
InChIInChI=1S/C12H20N4O/c1-8(2)12-14-10(6-11(17)15-12)16-5-3-4-9(13)7-16/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15,17)/t9-/m1/s1
InChIKeyJFCKLALUTBKXMC-SECBINFHSA-N
XLogP0.82
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.82
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
2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
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-(1-piperazin-1-ylbutyl)-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136171498
2-propan-2-yl-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 137009570
2-isopropyl-6-[(3-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046575
4-Hydroxy-2-methyl-6-(piperidin-1-yl)pyrimidine
CID 137000217
(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
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
4-hydroxy-2-(1-piperazin-1-ylpropyl)-1H-pyrimidin-6-one
CID 55221568

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 136873267) is 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC[C@@H](N)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is JFCKLALUTBKXMC-SECBINFHSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)12-14-10(6-11(17)15-12)16-5-3-4-9(13)7-16/h6,8-9H,3-5,7,13H2,1-2H3,(H,14,15,17)/t9-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one?
4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136873267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).