4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid

C10H13N3O3 — CID 16653150

IUPAC4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCOCC2)ncc1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-7-8(9(14)15)6-11-10(12-7)13-2-4-16-5-3-13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyPGIPXUSYFVXCJQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.32
Rot. Bonds2

About 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid

4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 16653150) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
PubChem CID16653150
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCOCC2)ncc1C(=O)O
InChIInChI=1S/C10H13N3O3/c1-7-8(9(14)15)6-11-10(12-7)13-2-4-16-5-3-13/h6H,2-5H2,1H3,(H,14,15)
InChIKeyPGIPXUSYFVXCJQ-UHFFFAOYSA-N
XLogP0.32
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid (CID 16653150) is 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid is Cc1nc(N2CCOCC2)ncc1C(=O)O.
What is the InChIKey of 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is PGIPXUSYFVXCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-8(9(14)15)6-11-10(12-7)13-2-4-16-5-3-13/h6H,2-5H2,1H3,(H,14,15).
What are the key properties of 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 16653150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).