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

C16H18Cl2N4O — CID 109321165

IUPAC2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)nc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H18Cl2N4O/c1-9(2)8-19-15(23)13-7-10(3)20-16(22-13)21-12-6-4-5-11(17)14(12)18/h4-7,9H,8H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyUTCXDGRYHPEDLJ-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.22
Rot. Bonds5

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

2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide (PubChem CID 109321165) has the molecular formula C16H18Cl2N4O and a molecular weight of 353.25 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
PubChem CID109321165
Molecular FormulaC16H18Cl2N4O
Molecular Weight353.25 g/mol
Exact Mass352.09
IUPAC Name2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCC(C)C)nc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C16H18Cl2N4O/c1-9(2)8-19-15(23)13-7-10(3)20-16(22-13)21-12-6-4-5-11(17)14(12)18/h4-7,9H,8H2,1-3H3,(H,19,23)(H,20,21,22)
InChIKeyUTCXDGRYHPEDLJ-UHFFFAOYSA-N
XLogP4.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.22
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-bromoanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109321144
6-methyl-N-(2-methylpropyl)-2-(2,3,4-trifluoroanilino)pyrimidine-4-carboxamide
CID 109321174
N-(2-chlorophenyl)-6-methyl-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320908
6-methyl-N-(2-methylpropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109320796
N-butyl-2-(3-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320719
2-(2-chloroanilino)-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327516
2-(2,6-dichloroanilino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319628
2-(3-chloro-2-methylanilino)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327950
6-methyl-2-(2-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333204
2-(2,5-dichloroanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333289
2-(3-chloro-2-methylanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325371

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide (CID 109321165) is 2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCC(C)C)nc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
The InChIKey is UTCXDGRYHPEDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O/c1-9(2)8-19-15(23)13-7-10(3)20-16(22-13)21-12-6-4-5-11(17)14(12)18/h4-7,9H,8H2,1-3H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide?
2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide has a molecular weight of 353.25 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroanilino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109321165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).