6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide

C21H22N4O2 — CID 25182625

IUPAC6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(O)c2ccccc12)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C21H22N4O2/c26-19-11-10-17(15-8-4-5-9-16(15)19)25-21(27)18-12-20(23-13-22-18)24-14-6-2-1-3-7-14/h4-5,8-14,26H,1-3,6-7H2,(H,25,27)(H,22,23,24)
InChIKeyODJZPCPILLDSHR-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.33
Rot. Bonds4

About 6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide (PubChem CID 25182625) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide
PubChem CID25182625
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(O)c2ccccc12)c1cc(NC2CCCCC2)ncn1
InChIInChI=1S/C21H22N4O2/c26-19-11-10-17(15-8-4-5-9-16(15)19)25-21(27)18-12-20(23-13-22-18)24-14-6-2-1-3-7-14/h4-5,8-14,26H,1-3,6-7H2,(H,25,27)(H,22,23,24)
InChIKeyODJZPCPILLDSHR-UHFFFAOYSA-N
XLogP4.33
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.33
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-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide (CID 25182625) is 6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide is O=C(Nc1ccc(O)c2ccccc12)c1cc(NC2CCCCC2)ncn1.
What is the InChIKey of 6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide?
The InChIKey is ODJZPCPILLDSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c26-19-11-10-17(15-8-4-5-9-16(15)19)25-21(27)18-12-20(23-13-22-18)24-14-6-2-1-3-7-14/h4-5,8-14,26H,1-3,6-7H2,(H,25,27)(H,22,23,24).
What are the key properties of 6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-(4-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.33, 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-hydroxynaphthalen-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 25182625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).