2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol

C17H30N4O — CID 154842261

IUPAC2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol
SMILESCC(C)c1cc(N2CCC(C(C)CO)CC2)nc(N(C)C)n1
InChIInChI=1S/C17H30N4O/c1-12(2)15-10-16(19-17(18-15)20(4)5)21-8-6-14(7-9-21)13(3)11-22/h10,12-14,22H,6-9,11H2,1-5H3
InChIKeyQWSNEFYUIVPPSK-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.51
Rot. Bonds5

About 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol

2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol (PubChem CID 154842261) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol
PubChem CID154842261
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol
SMILESCC(C)c1cc(N2CCC(C(C)CO)CC2)nc(N(C)C)n1
InChIInChI=1S/C17H30N4O/c1-12(2)15-10-16(19-17(18-15)20(4)5)21-8-6-14(7-9-21)13(3)11-22/h10,12-14,22H,6-9,11H2,1-5H3
InChIKeyQWSNEFYUIVPPSK-UHFFFAOYSA-N
XLogP2.51
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol?
The IUPAC name of 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol (CID 154842261) is 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol.
What is the SMILES notation for 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol?
The canonical SMILES for 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol is CC(C)c1cc(N2CCC(C(C)CO)CC2)nc(N(C)C)n1.
What is the InChIKey of 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol?
The InChIKey is QWSNEFYUIVPPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-12(2)15-10-16(19-17(18-15)20(4)5)21-8-6-14(7-9-21)13(3)11-22/h10,12-14,22H,6-9,11H2,1-5H3.
What are the key properties of 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol?
2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol has a molecular weight of 306.45 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)-6-propan-2-ylpyrimidin-4-yl]piperidin-4-yl]propan-1-ol is sourced from PubChem (CID 154842261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).