1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid

C12H18N4O2 — CID 156541282

IUPAC1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)CCCN1c1ccnc(N)n1
InChIInChI=1S/C12H18N4O2/c1-2-9-8(11(17)18)4-3-7-16(9)10-5-6-14-12(13)15-10/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)(H2,13,14,15)
InChIKeyYDOKHQYBWDKPEO-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.14
Rot. Bonds3

About 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid

1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid (PubChem CID 156541282) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid
PubChem CID156541282
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid
SMILESCCC1C(C(=O)O)CCCN1c1ccnc(N)n1
InChIInChI=1S/C12H18N4O2/c1-2-9-8(11(17)18)4-3-7-16(9)10-5-6-14-12(13)15-10/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)(H2,13,14,15)
InChIKeyYDOKHQYBWDKPEO-UHFFFAOYSA-N
XLogP1.14
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid (CID 156541282) is 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid is CCC1C(C(=O)O)CCCN1c1ccnc(N)n1.
What is the InChIKey of 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid?
The InChIKey is YDOKHQYBWDKPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-9-8(11(17)18)4-3-7-16(9)10-5-6-14-12(13)15-10/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)(H2,13,14,15).
What are the key properties of 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid?
1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopyrimidin-4-yl)-2-ethylpiperidine-3-carboxylic acid is sourced from PubChem (CID 156541282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).