2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one

C15H25N3O — CID 136731879

IUPAC2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-10(2)12-5-7-18(8-6-12)13-9-14(19)17-15(16-13)11(3)4/h9-12H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyDIIGPWLPQLLILI-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.77
Rot. Bonds3

About 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one

2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136731879) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136731879
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCC(C)c1nc(N2CCC(C(C)C)CC2)cc(=O)[nH]1
InChIInChI=1S/C15H25N3O/c1-10(2)12-5-7-18(8-6-12)13-9-14(19)17-15(16-13)11(3)4/h9-12H,5-8H2,1-4H3,(H,16,17,19)
InChIKeyDIIGPWLPQLLILI-UHFFFAOYSA-N
XLogP2.77
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-isopropyl-6-[(4-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046576
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957961
2-methyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957964
2-propan-2-yl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009787
2-ethyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009789
2-cyclopropyl-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009790
2-propan-2-yl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009792
2-ethyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009795
2-cyclopropyl-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009796
2-isopropyl-6-[(3-methylpiperidino)methyl]-4(3H)-pyrimidinone
CID 136046575
6-amino-2-(4-methylpiperidin-1-yl)pyrimidin-4(3H)-one
CID 135638182
6-Amino-2-(3-methyl-1-piperidinyl)-4(3H)-pyrimidinone
CID 135646473

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 136731879) is 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is CC(C)c1nc(N2CCC(C(C)C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is DIIGPWLPQLLILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-10(2)12-5-7-18(8-6-12)13-9-14(19)17-15(16-13)11(3)4/h9-12H,5-8H2,1-4H3,(H,16,17,19).
What are the key properties of 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one?
2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 263.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136731879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).