6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide

C18H22N4O2 — CID 25182758

IUPAC6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide
SMILESCN(c1cc(C(=O)Nc2ccc(O)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C18H22N4O2/c1-22(14-5-3-2-4-6-14)17-11-16(19-12-20-17)18(24)21-13-7-9-15(23)10-8-13/h7-12,14,23H,2-6H2,1H3,(H,21,24)
InChIKeyUDFOJJYFSUBZEJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.20
Rot. Bonds4

About 6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide

6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide (PubChem CID 25182758) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide
PubChem CID25182758
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide
SMILESCN(c1cc(C(=O)Nc2ccc(O)cc2)ncn1)C1CCCCC1
InChIInChI=1S/C18H22N4O2/c1-22(14-5-3-2-4-6-14)17-11-16(19-12-20-17)18(24)21-13-7-9-15(23)10-8-13/h7-12,14,23H,2-6H2,1H3,(H,21,24)
InChIKeyUDFOJJYFSUBZEJ-UHFFFAOYSA-N
XLogP3.20
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.20
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(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide (CID 25182758) is 6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide is CN(c1cc(C(=O)Nc2ccc(O)cc2)ncn1)C1CCCCC1.
What is the InChIKey of 6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is UDFOJJYFSUBZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22(14-5-3-2-4-6-14)17-11-16(19-12-20-17)18(24)21-13-7-9-15(23)10-8-13/h7-12,14,23H,2-6H2,1H3,(H,21,24).
What are the key properties of 6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide?
6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(methyl)amino]-N-(4-hydroxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).