6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide

C17H19N3O3 — CID 59446942

IUPAC6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(OC2CCCCC2)ncn1
InChIInChI=1S/C17H19N3O3/c21-13-8-6-12(7-9-13)20-17(22)15-10-16(19-11-18-15)23-14-4-2-1-3-5-14/h6-11,14,21H,1-5H2,(H,20,22)
InChIKeyIRZPERDSVKSRBJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.15
Rot. Bonds4

About 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide

6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide (PubChem CID 59446942) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide
PubChem CID59446942
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1)c1cc(OC2CCCCC2)ncn1
InChIInChI=1S/C17H19N3O3/c21-13-8-6-12(7-9-13)20-17(22)15-10-16(19-11-18-15)23-14-4-2-1-3-5-14/h6-11,14,21H,1-5H2,(H,20,22)
InChIKeyIRZPERDSVKSRBJ-UHFFFAOYSA-N
XLogP3.15
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
6-methoxy-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 121167255
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
CID 59447103
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
CID 59446849
6-ethoxy-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 121167580
6-phenylmethoxy-N-(4-phenylmethoxyphenyl)pyrimidine-4-carboxamide
CID 121167975
6-[cyclohexyl(methyl)amino]-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 59446976
6-methoxy-N-(4-methylsulfonylphenyl)pyrimidine-4-carboxamide
CID 121167413
2-(cyclopentylamino)-N-(4-hydroxyphenyl)acetamide
CID 54918004

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide (CID 59446942) is 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide is O=C(Nc1ccc(O)cc1)c1cc(OC2CCCCC2)ncn1.
What is the InChIKey of 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is IRZPERDSVKSRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-13-8-6-12(7-9-13)20-17(22)15-10-16(19-11-18-15)23-14-4-2-1-3-5-14/h6-11,14,21H,1-5H2,(H,20,22).
What are the key properties of 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide?
6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyloxy-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 59446942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).