4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid

C10H10N4O3 — CID 107543044

IUPAC4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid
SMILESN#Cc1ccnc(N2CCOCC2C(=O)O)n1
InChIInChI=1S/C10H10N4O3/c11-5-7-1-2-12-10(13-7)14-3-4-17-6-8(14)9(15)16/h1-2,8H,3-4,6H2,(H,15,16)
InChIKeySQTZRSIYJQSHHT-UHFFFAOYSA-N
MW234.21 g/mol
LogP-0.36
Rot. Bonds2

About 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid

4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid (PubChem CID 107543044) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid
PubChem CID107543044
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid
SMILESN#Cc1ccnc(N2CCOCC2C(=O)O)n1
InChIInChI=1S/C10H10N4O3/c11-5-7-1-2-12-10(13-7)14-3-4-17-6-8(14)9(15)16/h1-2,8H,3-4,6H2,(H,15,16)
InChIKeySQTZRSIYJQSHHT-UHFFFAOYSA-N
XLogP-0.36
TPSA99.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid?
The IUPAC name of 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid (CID 107543044) is 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid.
What is the SMILES notation for 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid?
The canonical SMILES for 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid is N#Cc1ccnc(N2CCOCC2C(=O)O)n1.
What is the InChIKey of 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid?
The InChIKey is SQTZRSIYJQSHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c11-5-7-1-2-12-10(13-7)14-3-4-17-6-8(14)9(15)16/h1-2,8H,3-4,6H2,(H,15,16).
What are the key properties of 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid?
4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanopyrimidin-2-yl)morpholine-3-carboxylic acid is sourced from PubChem (CID 107543044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).