[2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine

C11H9Cl2N3S — CID 107552246

IUPAC[2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine
SMILESNCc1ccnc(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3S/c12-7-1-2-9(13)10(5-7)17-11-15-4-3-8(6-14)16-11/h1-5H,6,14H2
InChIKeyUQSGMVGJIORRSM-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.39
Rot. Bonds3

About [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine

[2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine (PubChem CID 107552246) has the molecular formula C11H9Cl2N3S and a molecular weight of 286.19 g/mol. Its IUPAC name is [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine
PubChem CID107552246
Molecular FormulaC11H9Cl2N3S
Molecular Weight286.19 g/mol
Exact Mass284.99
IUPAC Name[2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine
SMILESNCc1ccnc(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C11H9Cl2N3S/c12-7-1-2-9(13)10(5-7)17-11-15-4-3-8(6-14)16-11/h1-5H,6,14H2
InChIKeyUQSGMVGJIORRSM-UHFFFAOYSA-N
XLogP3.39
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine 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

2-[4-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 114866282
2-[(2,5-dichlorophenyl)sulfanylmethyl]pyridin-4-amine
CID 79260247
[2-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-yl]methanamine
CID 107552301
(2-methylsulfanylpyrimidin-4-yl)methanamine;dihydrochloride
CID 170918737
[2-(2,5-dichlorophenyl)sulfanylquinolin-4-yl]methanamine
CID 63885874
4-chloro-6-(2,5-dichlorophenyl)sulfanylpyrimidine
CID 61279581
[2-(3,4-dichlorophenyl)pyrimidin-4-yl]methanamine
CID 81491774
(4-chloro-2-pyridinyl)methanamine
CID 22727148
4-[(2,5-dichlorophenyl)sulfanylmethyl]-1,3-thiazole-2-carboxylic acid
CID 43664392
[5-chloro-2-(4-methylpyrimidin-2-yl)sulfanylphenyl]methanol
CID 114865556
[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrimidin-4-yl]methanamine
CID 107552293
[4-(2,5-dichlorophenyl)sulfanylquinolin-3-yl]methanamine
CID 43669525

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine?
The IUPAC name of [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine (CID 107552246) is [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine?
The canonical SMILES for [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine is NCc1ccnc(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine?
The InChIKey is UQSGMVGJIORRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3S/c12-7-1-2-9(13)10(5-7)17-11-15-4-3-8(6-14)16-11/h1-5H,6,14H2.
What are the key properties of [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine?
[2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine has a molecular weight of 286.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichlorophenyl)sulfanylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 107552246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).