4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid

C13H19N5O3 — CID 56877905

IUPAC4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2cc(N3CCOCC3)ncn2)CCN1
InChIInChI=1S/C13H19N5O3/c19-13(20)10-8-18(2-1-14-10)12-7-11(15-9-16-12)17-3-5-21-6-4-17/h7,9-10,14H,1-6,8H2,(H,19,20)
InChIKeyMLAJOFMOMIPSMJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.82
Rot. Bonds3

About 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid

4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid (PubChem CID 56877905) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
PubChem CID56877905
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid
SMILESO=C(O)C1CN(c2cc(N3CCOCC3)ncn2)CCN1
InChIInChI=1S/C13H19N5O3/c19-13(20)10-8-18(2-1-14-10)12-7-11(15-9-16-12)17-3-5-21-6-4-17/h7,9-10,14H,1-6,8H2,(H,19,20)
InChIKeyMLAJOFMOMIPSMJ-UHFFFAOYSA-N
XLogP-0.82
TPSA90.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The IUPAC name of 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid (CID 56877905) is 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid.
What is the SMILES notation for 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The canonical SMILES for 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid is O=C(O)C1CN(c2cc(N3CCOCC3)ncn2)CCN1.
What is the InChIKey of 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid?
The InChIKey is MLAJOFMOMIPSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3/c19-13(20)10-8-18(2-1-14-10)12-7-11(15-9-16-12)17-3-5-21-6-4-17/h7,9-10,14H,1-6,8H2,(H,19,20).
What are the key properties of 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid?
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid has a molecular weight of 293.33 g/mol, XLogP of -0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-2-carboxylic acid is sourced from PubChem (CID 56877905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).