N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide

C17H19ClN4O2 — CID 25182746

IUPACN-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C17H19ClN4O2/c18-13-8-12(23)6-7-14(13)22-17(24)15-9-16(20-10-19-15)21-11-4-2-1-3-5-11/h6-11,23H,1-5H2,(H,22,24)(H,19,20,21)
InChIKeyJCXGHZCWAHCYGY-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.83
Rot. Bonds4

About N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide

N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide (PubChem CID 25182746) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
PubChem CID25182746
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C17H19ClN4O2/c18-13-8-12(23)6-7-14(13)22-17(24)15-9-16(20-10-19-15)21-11-4-2-1-3-5-11/h6-11,23H,1-5H2,(H,22,24)(H,19,20,21)
InChIKeyJCXGHZCWAHCYGY-UHFFFAOYSA-N
XLogP3.83
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.83
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 N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide (CID 25182746) is N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide is O=C(Nc1ccc(O)cc1Cl)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide?
The InChIKey is JCXGHZCWAHCYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-13-8-12(23)6-7-14(13)22-17(24)15-9-16(20-10-19-15)21-11-4-2-1-3-5-11/h6-11,23H,1-5H2,(H,22,24)(H,19,20,21).
What are the key properties of N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide?
N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-hydroxyphenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).