4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid

C11H16N4O3 — CID 116640989

IUPAC4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCCN1CCOC(c2ncc(C(=O)O)c(N)n2)C1
InChIInChI=1S/C11H16N4O3/c1-2-15-3-4-18-8(6-15)10-13-5-7(11(16)17)9(12)14-10/h5,8H,2-4,6H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyDCTBQSVBCINHPU-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.15
Rot. Bonds3

About 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid

4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid (PubChem CID 116640989) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
PubChem CID116640989
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
SMILESCCN1CCOC(c2ncc(C(=O)O)c(N)n2)C1
InChIInChI=1S/C11H16N4O3/c1-2-15-3-4-18-8(6-15)10-13-5-7(11(16)17)9(12)14-10/h5,8H,2-4,6H2,1H3,(H,16,17)(H2,12,13,14)
InChIKeyDCTBQSVBCINHPU-UHFFFAOYSA-N
XLogP0.15
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid (CID 116640989) is 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid is CCN1CCOC(c2ncc(C(=O)O)c(N)n2)C1.
What is the InChIKey of 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
The InChIKey is DCTBQSVBCINHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-2-15-3-4-18-8(6-15)10-13-5-7(11(16)17)9(12)14-10/h5,8H,2-4,6H2,1H3,(H,16,17)(H2,12,13,14).
What are the key properties of 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid?
4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 116640989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).