5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine

C12H12ClN5S — CID 118579864

IUPAC5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine
SMILESC=C(N)c1cnc(SC)nc1Nc1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN5S/c1-7(14)9-6-16-12(19-2)18-11(9)17-8-3-4-10(13)15-5-8/h3-6H,1,14H2,2H3,(H,16,17,18)
InChIKeyGJBDPEWZOSDEON-UHFFFAOYSA-N
MW293.78 g/mol
LogP2.92
Rot. Bonds4

About 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine

5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine (PubChem CID 118579864) has the molecular formula C12H12ClN5S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine
PubChem CID118579864
Molecular FormulaC12H12ClN5S
Molecular Weight293.78 g/mol
Exact Mass293.05
IUPAC Name5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine
SMILESC=C(N)c1cnc(SC)nc1Nc1ccc(Cl)nc1
InChIInChI=1S/C12H12ClN5S/c1-7(14)9-6-16-12(19-2)18-11(9)17-8-3-4-10(13)15-5-8/h3-6H,1,14H2,2H3,(H,16,17,18)
InChIKeyGJBDPEWZOSDEON-UHFFFAOYSA-N
XLogP2.92
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine 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

4-anilino-2-methylsulfanylpyrimidine-5-carboxylic acid;hydrofluoride
CID 70926607
5-bromo-N-(3,4-dichlorophenyl)-2-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 54605390
4-(1,3-benzothiazol-5-ylamino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 59199867
5-bromo-N-(4-methylphenyl)-2-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 54603924
N-(4-fluorophenyl)-4-(3-hydroxyanilino)-2-methylsulfanylpyrimidine-5-carboxamide
CID 91453117
6-chloro-N-prop-1-en-2-ylpyridin-3-amine
CID 89013102
5-N,6-N-bis(6-chloro-3-pyridinyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 11538041
[3-[(5-acetyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]carbamic acid
CID 90373764
ethane;ethyl 4-(3-methylanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 144591369
ethyl 4-[4-(4,6-dimethylpyrimidin-2-yl)oxyanilino]-2-methylsulfanylpyrimidine-5-carboxylate
CID 108777214
ethyl 3-(4-anilino-2-methylsulfanylpyrimidin-5-yl)-2-cyano-3-oxopropanoate
CID 171546889
ethyl 4-(3-ethoxycarbonyloxyanilino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 9150252

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine (CID 118579864) is 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine is C=C(N)c1cnc(SC)nc1Nc1ccc(Cl)nc1.
What is the InChIKey of 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is GJBDPEWZOSDEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5S/c1-7(14)9-6-16-12(19-2)18-11(9)17-8-3-4-10(13)15-5-8/h3-6H,1,14H2,2H3,(H,16,17,18).
What are the key properties of 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine?
5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 293.78 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethenyl)-N-(6-chloro-3-pyridinyl)-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 118579864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).