6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide

C19H25N5O — CID 109341935

IUPAC6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H25N5O/c1-24(2)16-10-8-15(9-11-16)23-19(25)17-12-18(21-13-20-17)22-14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyHHQDDQVLHDLOOW-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.54
Rot. Bonds5

About 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide

6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide (PubChem CID 109341935) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
PubChem CID109341935
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1
InChIInChI=1S/C19H25N5O/c1-24(2)16-10-8-15(9-11-16)23-19(25)17-12-18(21-13-20-17)22-14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,25)(H,20,21,22)
InChIKeyHHQDDQVLHDLOOW-UHFFFAOYSA-N
XLogP3.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
6-(cyclohexylamino)-N-[4-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]phenyl]pyrimidine-4-carboxamide
CID 59447103
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918
6-(cyclohexylamino)-N-(4-propylphenyl)pyrimidine-4-carboxamide
CID 59446849
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
6-(cycloheptylamino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109161046
5-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyrazine-2-carboxamide
CID 109271899
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
N-(4-tert-butylphenyl)-6-[4-(dimethylamino)anilino]pyrimidine-4-carboxamide
CID 109357788
6-(cyclopropylamino)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 84573387
N-(3-cyanophenyl)-6-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109354032

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide (CID 109341935) is 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide is CN(C)c1ccc(NC(=O)c2cc(NC3CCCCC3)ncn2)cc1.
What is the InChIKey of 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide?
The InChIKey is HHQDDQVLHDLOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-24(2)16-10-8-15(9-11-16)23-19(25)17-12-18(21-13-20-17)22-14-6-4-3-5-7-14/h8-14H,3-7H2,1-2H3,(H,23,25)(H,20,21,22).
What are the key properties of 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide?
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109341935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).