2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide

C18H23ClN4O — CID 109263439

IUPAC2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(Nc2ncc(C(=O)NCCC(C)C)cn2)c(Cl)c1
InChIInChI=1S/C18H23ClN4O/c1-11(2)5-6-20-17(24)14-9-21-18(22-10-14)23-16-13(4)7-12(3)8-15(16)19/h7-11H,5-6H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyOPCDGPFCLGMMPW-UHFFFAOYSA-N
MW346.86 g/mol
LogP4.27
Rot. Bonds6

About 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide

2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide (PubChem CID 109263439) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
PubChem CID109263439
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
SMILESCc1cc(C)c(Nc2ncc(C(=O)NCCC(C)C)cn2)c(Cl)c1
InChIInChI=1S/C18H23ClN4O/c1-11(2)5-6-20-17(24)14-9-21-18(22-10-14)23-16-13(4)7-12(3)8-15(16)19/h7-11H,5-6H2,1-4H3,(H,20,24)(H,21,22,23)
InChIKeyOPCDGPFCLGMMPW-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263556
5-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrazine-2-carboxamide
CID 109287810
2-(2-chloro-4,6-dimethylanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262388
N-pentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109263658
5-(2-chloro-4,6-dimethylanilino)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224849
1-N-(3-methylbutyl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109048639
2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109262959
5-N-(2-chloro-4,6-dimethylphenyl)-3-N-(2-methylpropyl)pyridine-3,5-dicarboxamide
CID 109102216
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263460
5-(2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109227747
N-(2-chloro-4,6-dimethylphenyl)-2-(3-methylanilino)pyrimidine-5-carboxamide
CID 109265605
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide (CID 109263439) is 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide is Cc1cc(C)c(Nc2ncc(C(=O)NCCC(C)C)cn2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
The InChIKey is OPCDGPFCLGMMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-11(2)5-6-20-17(24)14-9-21-18(22-10-14)23-16-13(4)7-12(3)8-15(16)19/h7-11H,5-6H2,1-4H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).