6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

C19H24N4O2 — CID 25182761

IUPAC6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1
InChIInChI=1S/C19H24N4O2/c1-13-10-15(24)8-9-16(13)23-19(25)17-11-18(21-12-20-17)22-14-6-4-2-3-5-7-14/h8-12,14,24H,2-7H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyGBLRSAQQHUKUBZ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.88
Rot. Bonds4

About 6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide

6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182761) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
PubChem CID25182761
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1
InChIInChI=1S/C19H24N4O2/c1-13-10-15(24)8-9-16(13)23-19(25)17-11-18(21-12-20-17)22-14-6-4-2-3-5-7-14/h8-12,14,24H,2-7H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyGBLRSAQQHUKUBZ-UHFFFAOYSA-N
XLogP3.88
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.88
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-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide (CID 25182761) is 6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is Cc1cc(O)ccc1NC(=O)c1cc(NC2CCCCCC2)ncn1.
What is the InChIKey of 6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is GBLRSAQQHUKUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-10-15(24)8-9-16(13)23-19(25)17-11-18(21-12-20-17)22-14-6-4-2-3-5-7-14/h8-12,14,24H,2-7H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide?
6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cycloheptylamino)-N-(4-hydroxy-2-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).