2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane

C16H20Cl2N4O2 — CID 145019698

IUPAC2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane
SMILESCC.[H]/N=C(\C)c1cnc(-c2c(Cl)c(OC)cc(OC)c2Cl)nc1N
InChIInChI=1S/C14H14Cl2N4O2.C2H6/c1-6(17)7-5-19-14(20-13(7)18)10-11(15)8(21-2)4-9(22-3)12(10)16;1-2/h4-5,17H,1-3H3,(H2,18,19,20);1-2H3/b17-6+;
InChIKeyTWPSCNWHGGXXCV-ZDEOBDHWSA-N
MW371.27 g/mol
LogP4.46
Rot. Bonds4

About 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane

2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane (PubChem CID 145019698) has the molecular formula C16H20Cl2N4O2 and a molecular weight of 371.27 g/mol. Its IUPAC name is 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane.

Molecular Properties

Compound Name2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane
PubChem CID145019698
Molecular FormulaC16H20Cl2N4O2
Molecular Weight371.27 g/mol
Exact Mass370.10
IUPAC Name2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane
SMILESCC.[H]/N=C(\C)c1cnc(-c2c(Cl)c(OC)cc(OC)c2Cl)nc1N
InChIInChI=1S/C14H14Cl2N4O2.C2H6/c1-6(17)7-5-19-14(20-13(7)18)10-11(15)8(21-2)4-9(22-3)12(10)16;1-2/h4-5,17H,1-3H3,(H2,18,19,20);1-2H3/b17-6+;
InChIKeyTWPSCNWHGGXXCV-ZDEOBDHWSA-N
XLogP4.46
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-ethanimidoylpyridin-4-amine
CID 144767803
butane;2-chloro-5-ethanimidoylpyridin-4-amine;ethane
CID 144767802
6-(2-butyl-6-chloro-3,5-dimethoxyphenyl)-3-propanimidoylpyridin-2-amine
CID 166774545
2-(4-amino-2-methoxypyrimidin-5-yl)-2-imino-1-(3-methoxy-4-methylphenyl)ethanone
CID 143258810
6-bromo-4-ethanimidoylpyridin-3-amine
CID 143774873
4-[(1R)-1-(3,5-dichloro-4-pyridinyl)ethoxy]-2-ethanimidoyl-5-methoxyaniline
CID 164565649
3-(2,6-dichloro-3,5-dimethoxyphenyl)-7-methyl-2,6-naphthyridin-1-amine
CID 135179837
CID 164593281
CID 164593281
4-[(6-amino-5-ethanimidoyl-3-pyridinyl)oxymethyl]-3-chloro-5-fluoropyridin-2-amine
CID 171465706
1-(2-methoxyphenyl)ethanimine
CID 154457857
1-(4-ethanimidoyl-2-methoxyphenyl)ethanone
CID 142132476
6-(2-chloro-3,5-dimethoxy-6-methylphenyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 135180154

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane?
The IUPAC name of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane (CID 145019698) is 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane.
What is the SMILES notation for 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane?
The canonical SMILES for 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane is CC.[H]/N=C(\C)c1cnc(-c2c(Cl)c(OC)cc(OC)c2Cl)nc1N.
What is the InChIKey of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane?
The InChIKey is TWPSCNWHGGXXCV-ZDEOBDHWSA-N. The full InChI is InChI=1S/C14H14Cl2N4O2.C2H6/c1-6(17)7-5-19-14(20-13(7)18)10-11(15)8(21-2)4-9(22-3)12(10)16;1-2/h4-5,17H,1-3H3,(H2,18,19,20);1-2H3/b17-6+;.
What are the key properties of 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane?
2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane has a molecular weight of 371.27 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichloro-3,5-dimethoxyphenyl)-5-ethanimidoylpyrimidin-4-amine;ethane is sourced from PubChem (CID 145019698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).