2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile

C19H23N5O — CID 135434919

IUPAC2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCN(C)c1ccc(-c2nc(NC3CCCCC3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C19H23N5O/c1-24(2)15-10-8-13(9-11-15)17-16(12-20)18(25)23-19(22-17)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H2,21,22,23,25)
InChIKeyOGNILYUSSGQJEA-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.12
Rot. Bonds4

About 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile

2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile (PubChem CID 135434919) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
PubChem CID135434919
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile
SMILESCN(C)c1ccc(-c2nc(NC3CCCCC3)[nH]c(=O)c2C#N)cc1
InChIInChI=1S/C19H23N5O/c1-24(2)15-10-8-13(9-11-15)17-16(12-20)18(25)23-19(22-17)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H2,21,22,23,25)
InChIKeyOGNILYUSSGQJEA-UHFFFAOYSA-N
XLogP3.12
TPSA84.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile (CID 135434919) is 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile is CN(C)c1ccc(-c2nc(NC3CCCCC3)[nH]c(=O)c2C#N)cc1.
What is the InChIKey of 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
The InChIKey is OGNILYUSSGQJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-24(2)15-10-8-13(9-11-15)17-16(12-20)18(25)23-19(22-17)21-14-6-4-3-5-7-14/h8-11,14H,3-7H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile?
2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile has a molecular weight of 337.43 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-[4-(dimethylamino)phenyl]-6-oxo-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135434919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).