2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

C17H20Cl2N4O — CID 109333289

IUPAC2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C17H20Cl2N4O/c1-10(2)6-7-20-16(24)15-8-11(3)21-17(23-15)22-14-9-12(18)4-5-13(14)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyUBGLPAKRLKQWDN-UHFFFAOYSA-N
MW367.28 g/mol
LogP4.61
Rot. Bonds6

About 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide

2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 109333289) has the molecular formula C17H20Cl2N4O and a molecular weight of 367.28 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID109333289
Molecular FormulaC17H20Cl2N4O
Molecular Weight367.28 g/mol
Exact Mass366.10
IUPAC Name2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C17H20Cl2N4O/c1-10(2)6-7-20-16(24)15-8-11(3)21-17(23-15)22-14-9-12(18)4-5-13(14)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,24)(H,21,22,23)
InChIKeyUBGLPAKRLKQWDN-UHFFFAOYSA-N
XLogP4.61
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.28
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333292
2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319626
6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
2-[(4-chlorophenyl)methylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109328971
2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333213
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
2-(4-tert-butylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333226
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
N-butyl-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320721
N-[(4-chlorophenyl)methyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109329037
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
2-(2,4-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319625

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 109333289) is 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC(C)C)nc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is UBGLPAKRLKQWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N4O/c1-10(2)6-7-20-16(24)15-8-11(3)21-17(23-15)22-14-9-12(18)4-5-13(14)19/h4-5,8-10H,6-7H2,1-3H3,(H,20,24)(H,21,22,23).
What are the key properties of 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 367.28 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).