2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid

C16H19N5O3 — CID 95875869

IUPAC2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESNCC[C@H]1CN(c2nccc(-c3cc(C(=O)O)ccn3)n2)CCO1
InChIInChI=1S/C16H19N5O3/c17-4-1-12-10-21(7-8-24-12)16-19-6-3-13(20-16)14-9-11(15(22)23)2-5-18-14/h2-3,5-6,9,12H,1,4,7-8,10,17H2,(H,22,23)/t12-/m0/s1
InChIKeyUVZUOCSDRRYKSP-LBPRGKRZSA-N
MW329.36 g/mol
LogP0.79
Rot. Bonds5

About 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid

2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid (PubChem CID 95875869) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid
PubChem CID95875869
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid
SMILESNCC[C@H]1CN(c2nccc(-c3cc(C(=O)O)ccn3)n2)CCO1
InChIInChI=1S/C16H19N5O3/c17-4-1-12-10-21(7-8-24-12)16-19-6-3-13(20-16)14-9-11(15(22)23)2-5-18-14/h2-3,5-6,9,12H,1,4,7-8,10,17H2,(H,22,23)/t12-/m0/s1
InChIKeyUVZUOCSDRRYKSP-LBPRGKRZSA-N
XLogP0.79
TPSA114.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid (CID 95875869) is 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid is NCC[C@H]1CN(c2nccc(-c3cc(C(=O)O)ccn3)n2)CCO1.
What is the InChIKey of 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid?
The InChIKey is UVZUOCSDRRYKSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H19N5O3/c17-4-1-12-10-21(7-8-24-12)16-19-6-3-13(20-16)14-9-11(15(22)23)2-5-18-14/h2-3,5-6,9,12H,1,4,7-8,10,17H2,(H,22,23)/t12-/m0/s1.
What are the key properties of 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid?
2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S)-2-(2-aminoethyl)morpholin-4-yl]pyrimidin-4-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 95875869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).