6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

C18H19F3N4O2 — CID 25182753

IUPAC6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1C(F)(F)F)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-8-12(26)6-7-14(13)25-17(27)15-9-16(23-10-22-15)24-11-4-2-1-3-5-11/h6-11,26H,1-5H2,(H,25,27)(H,22,23,24)
InChIKeyTUFUABZMBAGRDK-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.20
Rot. Bonds4

About 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (PubChem CID 25182753) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
PubChem CID25182753
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1C(F)(F)F)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C18H19F3N4O2/c19-18(20,21)13-8-12(26)6-7-14(13)25-17(27)15-9-16(23-10-22-15)24-11-4-2-1-3-5-11/h6-11,26H,1-5H2,(H,25,27)(H,22,23,24)
InChIKeyTUFUABZMBAGRDK-UHFFFAOYSA-N
XLogP4.20
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide (CID 25182753) is 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is O=C(Nc1ccc(O)cc1C(F)(F)F)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
The InChIKey is TUFUABZMBAGRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c19-18(20,21)13-8-12(26)6-7-14(13)25-17(27)15-9-16(23-10-22-15)24-11-4-2-1-3-5-11/h6-11,26H,1-5H2,(H,25,27)(H,22,23,24).
What are the key properties of 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide has a molecular weight of 380.37 g/mol, XLogP of 4.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[4-hydroxy-2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 25182753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).