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

C14H22N4O2 — CID 90488011

IUPAC3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
SMILESCCNc1cc(N2CCC(CCC(=O)O)CC2)ncn1
InChIInChI=1S/C14H22N4O2/c1-2-15-12-9-13(17-10-16-12)18-7-5-11(6-8-18)3-4-14(19)20/h9-11H,2-8H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyCSFPJUPHGDMZIX-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.99
Rot. Bonds6

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

3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid (PubChem CID 90488011) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
PubChem CID90488011
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid
SMILESCCNc1cc(N2CCC(CCC(=O)O)CC2)ncn1
InChIInChI=1S/C14H22N4O2/c1-2-15-12-9-13(17-10-16-12)18-7-5-11(6-8-18)3-4-14(19)20/h9-11H,2-8H2,1H3,(H,19,20)(H,15,16,17)
InChIKeyCSFPJUPHGDMZIX-UHFFFAOYSA-N
XLogP1.99
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid (CID 90488011) is 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid is CCNc1cc(N2CCC(CCC(=O)O)CC2)ncn1.
What is the InChIKey of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
The InChIKey is CSFPJUPHGDMZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-2-15-12-9-13(17-10-16-12)18-7-5-11(6-8-18)3-4-14(19)20/h9-11H,2-8H2,1H3,(H,19,20)(H,15,16,17).
What are the key properties of 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid?
3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid has a molecular weight of 278.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-4-yl]propanoic acid is sourced from PubChem (CID 90488011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).