2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide

C20H26N4O — CID 109322701

IUPAC2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)nc(NC2CCCCC2)n1
InChIInChI=1S/C20H26N4O/c1-3-15-9-7-8-12-17(15)23-19(25)18-13-14(2)21-20(24-18)22-16-10-5-4-6-11-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVOLNSTLJZCCKRU-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.34
Rot. Bonds5

About 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide

2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109322701) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109322701
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(C)nc(NC2CCCCC2)n1
InChIInChI=1S/C20H26N4O/c1-3-15-9-7-8-12-17(15)23-19(25)18-13-14(2)21-20(24-18)22-16-10-5-4-6-11-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyVOLNSTLJZCCKRU-UHFFFAOYSA-N
XLogP4.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cycloheptylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109332885
N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332917
2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322031
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322021
2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide
CID 109322767
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-(2-ethylphenyl)-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324607
N-(2-ethylphenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327397
2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
N-(3-chloro-2-methylphenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319761

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide (CID 109322701) is 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1cc(C)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is VOLNSTLJZCCKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-15-9-7-8-12-17(15)23-19(25)18-13-14(2)21-20(24-18)22-16-10-5-4-6-11-16/h7-9,12-13,16H,3-6,10-11H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide?
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).