1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid

C17H28N4O2 — CID 113193597

IUPAC1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCCCN(CCC)c1cc(N2CCC(C(=O)O)CC2)nc(C)n1
InChIInChI=1S/C17H28N4O2/c1-4-8-20(9-5-2)15-12-16(19-13(3)18-15)21-10-6-14(7-11-21)17(22)23/h12,14H,4-11H2,1-3H3,(H,22,23)
InChIKeyLUMCYGBTFOFMKH-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.71
Rot. Bonds7

About 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid

1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid (PubChem CID 113193597) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
PubChem CID113193597
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid
SMILESCCCN(CCC)c1cc(N2CCC(C(=O)O)CC2)nc(C)n1
InChIInChI=1S/C17H28N4O2/c1-4-8-20(9-5-2)15-12-16(19-13(3)18-15)21-10-6-14(7-11-21)17(22)23/h12,14H,4-11H2,1-3H3,(H,22,23)
InChIKeyLUMCYGBTFOFMKH-UHFFFAOYSA-N
XLogP2.71
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid (CID 113193597) is 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid is CCCN(CCC)c1cc(N2CCC(C(=O)O)CC2)nc(C)n1.
What is the InChIKey of 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is LUMCYGBTFOFMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-8-20(9-5-2)15-12-16(19-13(3)18-15)21-10-6-14(7-11-21)17(22)23/h12,14H,4-11H2,1-3H3,(H,22,23).
What are the key properties of 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid?
1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 320.44 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(dipropylamino)-2-methylpyrimidin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 113193597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).