3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid

C15H24N4O2 — CID 90488012

IUPAC3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
SMILESCCCNc1cc(N2CCC(CCC(=O)O)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-2-7-16-13-10-14(18-11-17-13)19-8-5-12(6-9-19)3-4-15(20)21/h10-12H,2-9H2,1H3,(H,20,21)(H,16,17,18)
InChIKeyGMUPYCYBAKBXLE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.38
Rot. Bonds7

About 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid

3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid (PubChem CID 90488012) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
PubChem CID90488012
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
SMILESCCCNc1cc(N2CCC(CCC(=O)O)CC2)ncn1
InChIInChI=1S/C15H24N4O2/c1-2-7-16-13-10-14(18-11-17-13)19-8-5-12(6-9-19)3-4-15(20)21/h10-12H,2-9H2,1H3,(H,20,21)(H,16,17,18)
InChIKeyGMUPYCYBAKBXLE-UHFFFAOYSA-N
XLogP2.38
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid (CID 90488012) is 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid is CCCNc1cc(N2CCC(CCC(=O)O)CC2)ncn1.
What is the InChIKey of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
The InChIKey is GMUPYCYBAKBXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-7-16-13-10-14(18-11-17-13)19-8-5-12(6-9-19)3-4-15(20)21/h10-12H,2-9H2,1H3,(H,20,21)(H,16,17,18).
What are the key properties of 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(propylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 90488012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).