5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide

C15H17ClN4O — CID 62185060

IUPAC5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H17ClN4O/c1-4-17-13-6-5-11(16)8-12(13)14(21)20-15-18-9(2)7-10(3)19-15/h5-8,17H,4H2,1-3H3,(H,18,19,20,21)
InChIKeyDWYYIJHRAHVCNL-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.43
Rot. Bonds4

About 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide

5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide (PubChem CID 62185060) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide.

Molecular Properties

Compound Name5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
PubChem CID62185060
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide
SMILESCCNc1ccc(Cl)cc1C(=O)Nc1nc(C)cc(C)n1
InChIInChI=1S/C15H17ClN4O/c1-4-17-13-6-5-11(16)8-12(13)14(21)20-15-18-9(2)7-10(3)19-15/h5-8,17H,4H2,1-3H3,(H,18,19,20,21)
InChIKeyDWYYIJHRAHVCNL-UHFFFAOYSA-N
XLogP3.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
5-chloro-N-(4-chlorophenyl)-2-(ethylamino)benzamide
CID 63501473
5-chloro-2-(ethylamino)-N-(4-methylphenyl)benzamide
CID 62165915
5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
5-chloro-2-(ethylamino)-N-(4-methyl-2-pyridinyl)benzamide
CID 62165937
5-chloro-2-(ethylamino)-N-(4-methoxyphenyl)benzamide
CID 62171434
5-chloro-N-(2,6-difluorophenyl)-2-(ethylamino)benzamide
CID 62165442
5-chloro-N-(2,4-difluorophenyl)-2-(ethylamino)benzamide
CID 62166930
N-(3-bromo-5-methylphenyl)-5-chloro-2-(ethylamino)benzamide
CID 107578576
5-chloro-N-(2-chloro-4-fluorophenyl)-2-(ethylamino)benzamide
CID 62166687
N-(5-bromo-3-methyl-2-pyridinyl)-5-chloro-2-(ethylamino)benzamide
CID 83167924
N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)-3-fluorobenzamide
CID 62649344

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide?
The IUPAC name of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide (CID 62185060) is 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide.
What is the SMILES notation for 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide?
The canonical SMILES for 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide is CCNc1ccc(Cl)cc1C(=O)Nc1nc(C)cc(C)n1.
What is the InChIKey of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide?
The InChIKey is DWYYIJHRAHVCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-4-17-13-6-5-11(16)8-12(13)14(21)20-15-18-9(2)7-10(3)19-15/h5-8,17H,4H2,1-3H3,(H,18,19,20,21).
What are the key properties of 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide?
5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-(ethylamino)benzamide is sourced from PubChem (CID 62185060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).