2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide

C23H33N5O — CID 109322767

IUPAC2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C)nc(NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C23H33N5O/c1-5-28(6-2)19-12-13-20(16(3)14-19)26-22(29)21-15-17(4)24-23(27-21)25-18-10-8-7-9-11-18/h12-15,18H,5-11H2,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyHFUKEQUAFFCXMP-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.94
Rot. Bonds7

About 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide

2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 109322767) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide
PubChem CID109322767
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C)nc(NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C23H33N5O/c1-5-28(6-2)19-12-13-20(16(3)14-19)26-22(29)21-15-17(4)24-23(27-21)25-18-10-8-7-9-11-18/h12-15,18H,5-11H2,1-4H3,(H,26,29)(H,24,25,27)
InChIKeyHFUKEQUAFFCXMP-UHFFFAOYSA-N
XLogP4.94
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.94
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

2-(cyclopropylamino)-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109295704
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269
5-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109183226
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109205057
N-[4-(diethylamino)-2-methylphenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319048
N-[4-(diethylamino)-2-methylphenyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324675
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109325003
6-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109152230
5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109226245
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(cycloheptylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109332885

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide (CID 109322767) is 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(C)nc(NC3CCCCC3)n2)c(C)c1.
What is the InChIKey of 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is HFUKEQUAFFCXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-5-28(6-2)19-12-13-20(16(3)14-19)26-22(29)21-15-17(4)24-23(27-21)25-18-10-8-7-9-11-18/h12-15,18H,5-11H2,1-4H3,(H,26,29)(H,24,25,27).
What are the key properties of 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide?
2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).