2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide

C17H18Cl2N4O — CID 109250627

IUPAC2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C17H18Cl2N4O/c18-12-6-7-14(19)15(8-12)23-16(24)11-9-20-17(21-10-11)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,23,24)(H,20,21,22)
InChIKeySJPHHWCFXOAAAB-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.78
Rot. Bonds4

About 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide

2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide (PubChem CID 109250627) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
PubChem CID109250627
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC Name2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C17H18Cl2N4O/c18-12-6-7-14(19)15(8-12)23-16(24)11-9-20-17(21-10-11)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,23,24)(H,20,21,22)
InChIKeySJPHHWCFXOAAAB-UHFFFAOYSA-N
XLogP4.78
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458
methyl 4-chloro-3-[[2-(cyclopentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109249854
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250623
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
N-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249827
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
N-(2,5-dichlorophenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247242
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
N-(5-chloro-2-methoxyphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-5-carboxamide
CID 109260898
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109250442
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201
5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 109239662

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide (CID 109250627) is 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1cnc(NC2CCCCC2)nc1.
What is the InChIKey of 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide?
The InChIKey is SJPHHWCFXOAAAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-12-6-7-14(19)15(8-12)23-16(24)11-9-20-17(21-10-11)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,23,24)(H,20,21,22).
What are the key properties of 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide?
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).