4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

C14H19N3O4 — CID 107602545

IUPAC4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)C2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C14H19N3O4/c1-8-7-11(21-2)16-14(15-8)17-12(18)9-3-5-10(6-4-9)13(19)20/h7,9-10H,3-6H2,1-2H3,(H,19,20)(H,15,16,17,18)
InChIKeyWFPOLAJFKQMKFL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.62
Rot. Bonds4

About 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 107602545) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID107602545
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESCOc1cc(C)nc(NC(=O)C2CCC(C(=O)O)CC2)n1
InChIInChI=1S/C14H19N3O4/c1-8-7-11(21-2)16-14(15-8)17-12(18)9-3-5-10(6-4-9)13(19)20/h7,9-10H,3-6H2,1-2H3,(H,19,20)(H,15,16,17,18)
InChIKeyWFPOLAJFKQMKFL-UHFFFAOYSA-N
XLogP1.62
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107605555
2-amino-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclopentane-1-carboxamide
CID 107600178
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
N-(4-methoxy-6-methylpyrimidin-2-yl)-3-methylpyrrolidine-2-carboxamide
CID 107600138
2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107602103
1-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107602132
5-(aminomethyl)-N-(4-methoxy-6-methylpyrimidin-2-yl)oxolane-2-carboxamide
CID 107600048
(2R,5S)-5-[(4,6-dimethoxypyrimidin-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 107624816
cis-(1S,2R)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclopentane-1-carboxylic acid
CID 138032937
3-cyclopropyl-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylamino]propanoic acid
CID 107602108
2-hydrazinyl-N-(4-methoxy-6-methylpyrimidin-2-yl)-2-oxoacetamide
CID 107602431
(4R)-3-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 107602169

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 107602545) is 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is COc1cc(C)nc(NC(=O)C2CCC(C(=O)O)CC2)n1.
What is the InChIKey of 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is WFPOLAJFKQMKFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-7-11(21-2)16-14(15-8)17-12(18)9-3-5-10(6-4-9)13(19)20/h7,9-10H,3-6H2,1-2H3,(H,19,20)(H,15,16,17,18).
What are the key properties of 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid?
4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107602545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).