6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide

C19H24N4O2 — CID 25182747

IUPAC6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1c(O)ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c1C
InChIInChI=1S/C19H24N4O2/c1-12-13(2)17(24)9-8-15(12)23-19(25)16-10-18(21-11-20-16)22-14-6-4-3-5-7-14/h8-11,14,24H,3-7H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyKPJFKOIYBHYGEQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.80
Rot. Bonds4

About 6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 25182747) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide
PubChem CID25182747
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1c(O)ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c1C
InChIInChI=1S/C19H24N4O2/c1-12-13(2)17(24)9-8-15(12)23-19(25)16-10-18(21-11-20-16)22-14-6-4-3-5-7-14/h8-11,14,24H,3-7H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyKPJFKOIYBHYGEQ-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
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-2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide (CID 25182747) is 6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide is Cc1c(O)ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)c1C.
What is the InChIKey of 6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is KPJFKOIYBHYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-13(2)17(24)9-8-15(12)23-19(25)16-10-18(21-11-20-16)22-14-6-4-3-5-7-14/h8-11,14,24H,3-7H2,1-2H3,(H,23,25)(H,20,21,22).
What are the key properties of 6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(4-hydroxy-2,3-dimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.80, 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-2,3-dimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).