2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C15H16Cl2N4O — CID 109319626

IUPAC2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C15H16Cl2N4O/c1-8(2)18-14(22)13-6-9(3)19-15(21-13)20-12-7-10(16)4-5-11(12)17/h4-8H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyGNOSIGQAOFXPEH-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.97
Rot. Bonds4

About 2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109319626) has the molecular formula C15H16Cl2N4O and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109319626
Molecular FormulaC15H16Cl2N4O
Molecular Weight339.23 g/mol
Exact Mass338.07
IUPAC Name2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(Nc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C15H16Cl2N4O/c1-8(2)18-14(22)13-6-9(3)19-15(21-13)20-12-7-10(16)4-5-11(12)17/h4-8H,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyGNOSIGQAOFXPEH-UHFFFAOYSA-N
XLogP3.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319625
2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333289
2-(2,6-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319628
2-N-(2,5-dichlorophenyl)-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093790
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
6-methyl-N-propan-2-yl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319251
2-[2-(4-chlorophenyl)ethylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319503
2-(4-cyanoanilino)-N-(2,5-dichlorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109338146
N-(2,5-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864118
2-(5-chloro-2-methylanilino)-6-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109335156
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958
2-(5-chloro-2-methoxyanilino)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337405

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109319626) is 2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)C)nc(Nc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GNOSIGQAOFXPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O/c1-8(2)18-14(22)13-6-9(3)19-15(21-13)20-12-7-10(16)4-5-11(12)17/h4-8H,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
2-(2,5-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 3.97, 4 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-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).