6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide

C18H22N4O2 — CID 25182624

IUPAC6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O
InChIInChI=1S/C18H22N4O2/c1-12-9-14(7-8-16(12)23)22-18(24)15-10-17(20-11-19-15)21-13-5-3-2-4-6-13/h7-11,13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyCPRVOIHQQNGSOD-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.49
Rot. Bonds4

About 6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182624) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide
PubChem CID25182624
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O
InChIInChI=1S/C18H22N4O2/c1-12-9-14(7-8-16(12)23)22-18(24)15-10-17(20-11-19-15)21-13-5-3-2-4-6-13/h7-11,13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21)
InChIKeyCPRVOIHQQNGSOD-UHFFFAOYSA-N
XLogP3.49
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.49
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-3-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide (CID 25182624) is 6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide is Cc1cc(NC(=O)c2cc(NC3CCCCC3)ncn2)ccc1O.
What is the InChIKey of 6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is CPRVOIHQQNGSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-9-14(7-8-16(12)23)22-18(24)15-10-17(20-11-19-15)21-13-5-3-2-4-6-13/h7-11,13,23H,2-6H2,1H3,(H,22,24)(H,19,20,21).
What are the key properties of 6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(4-hydroxy-3-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.49, 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-3-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).