N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide

C17H18Cl2N4O — CID 109250442

IUPACN-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C17H18Cl2N4O/c18-12-6-7-15(14(19)8-12)23-17-20-9-11(10-21-17)16(24)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,22,24)(H,20,21,23)
InChIKeyWVOUAZIURJLPCH-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.59
Rot. Bonds4

About N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide

N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide (PubChem CID 109250442) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
PubChem CID109250442
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1
InChIInChI=1S/C17H18Cl2N4O/c18-12-6-7-15(14(19)8-12)23-17-20-9-11(10-21-17)16(24)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,22,24)(H,20,21,23)
InChIKeyWVOUAZIURJLPCH-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247377
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115
1-N-cyclopentyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109044538
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
N-cyclopentyl-2-(3,4-difluoroanilino)pyrimidine-5-carboxamide
CID 109249710
N-cyclopropyl-2-(3,4-dichloroanilino)pyrimidine-5-carboxamide
CID 109247436
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249701
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109250365
2-N-cyclohexyl-4-N-(2,4-dichlorophenyl)pyridine-2,4-dicarboxamide
CID 109081635
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide (CID 109250442) is N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide is O=C(NC1CCCCC1)c1cnc(Nc2ccc(Cl)cc2Cl)nc1.
What is the InChIKey of N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide?
The InChIKey is WVOUAZIURJLPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-12-6-7-15(14(19)8-12)23-17-20-9-11(10-21-17)16(24)22-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,22,24)(H,20,21,23).
What are the key properties of N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide?
N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide has a molecular weight of 365.26 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,4-dichloroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).