4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine

C18H18ClN5OS — CID 143258508

IUPAC4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine
SMILES[H]/N=C(\C)c1nc(-c2cccs2)nc(Nc2ccc(OC)c(Cl)c2)c1NC
InChIInChI=1S/C18H18ClN5OS/c1-10(20)15-16(21-2)18(24-17(23-15)14-5-4-8-26-14)22-11-6-7-13(25-3)12(19)9-11/h4-9,20-21H,1-3H3,(H,22,23,24)/b20-10+
InChIKeyJUUPMKIQQWDVAC-KEBDBYFISA-N
MW387.90 g/mol
LogP5.04
Rot. Bonds6

About 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine

4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine (PubChem CID 143258508) has the molecular formula C18H18ClN5OS and a molecular weight of 387.90 g/mol. Its IUPAC name is 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine
PubChem CID143258508
Molecular FormulaC18H18ClN5OS
Molecular Weight387.90 g/mol
Exact Mass387.09
IUPAC Name4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine
SMILES[H]/N=C(\C)c1nc(-c2cccs2)nc(Nc2ccc(OC)c(Cl)c2)c1NC
InChIInChI=1S/C18H18ClN5OS/c1-10(20)15-16(21-2)18(24-17(23-15)14-5-4-8-26-14)22-11-6-7-13(25-3)12(19)9-11/h4-9,20-21H,1-3H3,(H,22,23,24)/b20-10+
InChIKeyJUUPMKIQQWDVAC-KEBDBYFISA-N
XLogP5.04
TPSA82.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.90
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethanimidoyl-2-(4-fluorophenyl)-4-N-(4-methoxy-3-methylphenyl)-5-N-methylpyrimidine-4,5-diamine
CID 143258543
6-(1-aminoethyl)-4-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenyl)-5-N-methylpyrimidine-4,5-diamine
CID 143258526
N-(3-chloro-4-methoxyphenyl)thiophene-2-carboxamide
CID 878235
N-[6-(3-chloro-4-methoxyanilino)pyridazin-3-yl]thiophene-2-carboxamide
CID 113047904
4-N-(3-chloro-4-methoxyphenyl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80762990
1-(4-tert-butylphenyl)-3-(3-chloro-4-methoxyanilino)-4-thiophen-2-ylpyrrole-2,5-dione
CID 110591877
N-[(3-chloro-4-methoxyphenyl)carbamoyl]thiophene-2-carboxamide
CID 110866426
3-chloro-4-methoxy-N-(1-thiophen-2-ylethyl)aniline
CID 43191617
4-[3-(3-chloro-4-methoxyanilino)-2,5-dioxo-4-thiophen-2-ylpyrrol-1-yl]benzonitrile
CID 110592291
N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71691013
1-(3-chloro-4-methoxyphenyl)-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 7488029
N-(3-chloro-4-methoxyphenyl)-2-(thiophen-2-ylsulfonylamino)-1,3-thiazole-4-carboxamide
CID 25405255

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine (CID 143258508) is 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine is [H]/N=C(\C)c1nc(-c2cccs2)nc(Nc2ccc(OC)c(Cl)c2)c1NC.
What is the InChIKey of 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine?
The InChIKey is JUUPMKIQQWDVAC-KEBDBYFISA-N. The full InChI is InChI=1S/C18H18ClN5OS/c1-10(20)15-16(21-2)18(24-17(23-15)14-5-4-8-26-14)22-11-6-7-13(25-3)12(19)9-11/h4-9,20-21H,1-3H3,(H,22,23,24)/b20-10+.
What are the key properties of 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine?
4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine has a molecular weight of 387.90 g/mol, XLogP of 5.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-4-methoxyphenyl)-6-ethanimidoyl-5-N-methyl-2-thiophen-2-ylpyrimidine-4,5-diamine is sourced from PubChem (CID 143258508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).