2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide

C20H26N4O — CID 109263201

IUPAC2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C20H26N4O/c1-2-15-9-7-8-12-18(15)24-19(25)16-13-21-20(22-14-16)23-17-10-5-3-4-6-11-17/h7-9,12-14,17H,2-6,10-11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyILKFWUNAFZJYIE-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.43
Rot. Bonds5

About 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide

2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109263201) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
PubChem CID109263201
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(NC2CCCCCC2)nc1
InChIInChI=1S/C20H26N4O/c1-2-15-9-7-8-12-18(15)24-19(25)16-13-21-20(22-14-16)23-17-10-5-3-4-6-11-17/h7-9,12-14,17H,2-6,10-11H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyILKFWUNAFZJYIE-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[2-(cyclohexylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109250634
2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109263226
2-(cyclopentylamino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 109249844
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729
2-(cyclohexylamino)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109250604
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109267292

Frequently Asked Questions

What is the IUPAC name of 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide (CID 109263201) is 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide is CCc1ccccc1NC(=O)c1cnc(NC2CCCCCC2)nc1.
What is the InChIKey of 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ILKFWUNAFZJYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-15-9-7-8-12-18(15)24-19(25)16-13-21-20(22-14-16)23-17-10-5-3-4-6-11-17/h7-9,12-14,17H,2-6,10-11H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).