N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide

C17H18Cl2N4O — CID 109342121

IUPACN-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Nc2cc(Cl)ccc2Cl)ncn1
InChIInChI=1S/C17H18Cl2N4O/c18-11-6-7-13(19)14(8-11)23-16-9-15(20-10-21-16)17(24)22-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,22,24)(H,20,21,23)
InChIKeyNTXZPOMZWGKUEW-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.59
Rot. Bonds4

About N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide

N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide (PubChem CID 109342121) has the molecular formula C17H18Cl2N4O and a molecular weight of 365.26 g/mol. Its IUPAC name is N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
PubChem CID109342121
Molecular FormulaC17H18Cl2N4O
Molecular Weight365.26 g/mol
Exact Mass364.09
IUPAC NameN-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide
SMILESO=C(NC1CCCCC1)c1cc(Nc2cc(Cl)ccc2Cl)ncn1
InChIInChI=1S/C17H18Cl2N4O/c18-11-6-7-13(19)14(8-11)23-16-9-15(20-10-21-16)17(24)22-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,22,24)(H,20,21,23)
InChIKeyNTXZPOMZWGKUEW-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

6-[2-chloro-5-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341522
6-(3-chloroanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341488
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopentylpyrimidine-4-carboxamide
CID 109341546
N-cyclopropyl-6-(2,6-dichloroanilino)pyrimidine-4-carboxamide
CID 109339399
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
6-anilino-N-cyclopentylpyrimidine-4-carboxamide
CID 109341462
6-(2,5-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344394
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
6-N-cyclopentyl-2-N-(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 109095085
6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109345006
6-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpyrimidine-4-carboxamide
CID 109339391
6-(4-bromoanilino)-N-cyclopentylpyrimidine-4-carboxamide
CID 109341498

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide (CID 109342121) is N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide is O=C(NC1CCCCC1)c1cc(Nc2cc(Cl)ccc2Cl)ncn1.
What is the InChIKey of N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide?
The InChIKey is NTXZPOMZWGKUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N4O/c18-11-6-7-13(19)14(8-11)23-16-9-15(20-10-21-16)17(24)22-12-4-2-1-3-5-12/h6-10,12H,1-5H2,(H,22,24)(H,20,21,23).
What are the key properties of N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide?
N-cyclohexyl-6-(2,5-dichloroanilino)pyrimidine-4-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-6-(2,5-dichloroanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109342121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).