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

C22H28N4O2 — CID 25182769

IUPAC6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C22H28N4O2/c1-15-11-18(27)9-10-19(15)25-22(28)20-12-21(24-14-23-20)26(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17,27H,2-8,13H2,1H3,(H,25,28)
InChIKeyZFOJVKYNXYNDCO-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.29
Rot. Bonds6

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

6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182769) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID25182769
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1
InChIInChI=1S/C22H28N4O2/c1-15-11-18(27)9-10-19(15)25-22(28)20-12-21(24-14-23-20)26(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17,27H,2-8,13H2,1H3,(H,25,28)
InChIKeyZFOJVKYNXYNDCO-UHFFFAOYSA-N
XLogP4.29
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 25182769) is 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is Cc1cc(O)ccc1NC(=O)c1cc(N(CC2CC2)C2CCCCC2)ncn1.
What is the InChIKey of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ZFOJVKYNXYNDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-15-11-18(27)9-10-19(15)25-22(28)20-12-21(24-14-23-20)26(13-16-7-8-16)17-5-3-2-4-6-17/h9-12,14,16-17,27H,2-8,13H2,1H3,(H,25,28).
What are the key properties of 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclohexyl(cyclopropylmethyl)amino]-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).