6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

C20H26N4O2 — CID 25182763

IUPAC6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(c1cc(C(=O)Nc2ccc(O)cc2C)ncn1)C1CCCCC1
InChIInChI=1S/C20H26N4O2/c1-3-24(15-7-5-4-6-8-15)19-12-18(21-13-22-19)20(26)23-17-10-9-16(25)11-14(17)2/h9-13,15,25H,3-8H2,1-2H3,(H,23,26)
InChIKeyZNFTXQFGUIKQQE-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.90
Rot. Bonds5

About 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182763) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID25182763
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCCN(c1cc(C(=O)Nc2ccc(O)cc2C)ncn1)C1CCCCC1
InChIInChI=1S/C20H26N4O2/c1-3-24(15-7-5-4-6-8-15)19-12-18(21-13-22-19)20(26)23-17-10-9-16(25)11-14(17)2/h9-13,15,25H,3-8H2,1-2H3,(H,23,26)
InChIKeyZNFTXQFGUIKQQE-UHFFFAOYSA-N
XLogP3.90
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
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-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 25182763) is 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is CCN(c1cc(C(=O)Nc2ccc(O)cc2C)ncn1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZNFTXQFGUIKQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-24(15-7-5-4-6-8-15)19-12-18(21-13-22-19)20(26)23-17-10-9-16(25)11-14(17)2/h9-13,15,25H,3-8H2,1-2H3,(H,23,26).
What are the key properties of 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(ethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).