4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid

C17H25N3O4 — CID 68926245

IUPAC4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCOCC2)nc(OC2CCCCCC2)c1C(=O)O
InChIInChI=1S/C17H25N3O4/c1-12-14(16(21)22)15(24-13-6-4-2-3-5-7-13)19-17(18-12)20-8-10-23-11-9-20/h13H,2-11H2,1H3,(H,21,22)
InChIKeyQNYXFBUUUSNGBO-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.42
Rot. Bonds4

About 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid

4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 68926245) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
PubChem CID68926245
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(N2CCOCC2)nc(OC2CCCCCC2)c1C(=O)O
InChIInChI=1S/C17H25N3O4/c1-12-14(16(21)22)15(24-13-6-4-2-3-5-7-13)19-17(18-12)20-8-10-23-11-9-20/h13H,2-11H2,1H3,(H,21,22)
InChIKeyQNYXFBUUUSNGBO-UHFFFAOYSA-N
XLogP2.42
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid (CID 68926245) is 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid is Cc1nc(N2CCOCC2)nc(OC2CCCCCC2)c1C(=O)O.
What is the InChIKey of 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is QNYXFBUUUSNGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12-14(16(21)22)15(24-13-6-4-2-3-5-7-13)19-17(18-12)20-8-10-23-11-9-20/h13H,2-11H2,1H3,(H,21,22).
What are the key properties of 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid?
4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyloxy-6-methyl-2-morpholin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 68926245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).