5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine

C10H11ClN4S2 — CID 80886409

IUPAC5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Sc2nccs2)n1
InChIInChI=1S/C10H11ClN4S2/c1-2-3-12-9-14-6-7(11)8(15-9)17-10-13-4-5-16-10/h4-6H,2-3H2,1H3,(H,12,14,15)
InChIKeyXRWFXEDMNWSRRA-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.56
Rot. Bonds5

About 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine

5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine (PubChem CID 80886409) has the molecular formula C10H11ClN4S2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
PubChem CID80886409
Molecular FormulaC10H11ClN4S2
Molecular Weight286.81 g/mol
Exact Mass286.01
IUPAC Name5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
SMILESCCCNc1ncc(Cl)c(Sc2nccs2)n1
InChIInChI=1S/C10H11ClN4S2/c1-2-3-12-9-14-6-7(11)8(15-9)17-10-13-4-5-16-10/h4-6H,2-3H2,1H3,(H,12,14,15)
InChIKeyXRWFXEDMNWSRRA-UHFFFAOYSA-N
XLogP3.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-methyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine
CID 80886316
5-chloro-4-(2-fluorophenyl)sulfanyl-N-propylpyrimidin-2-amine
CID 80884181
5-chloro-4-(2-methylfuran-3-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 114001357
5-chloro-4-(2-methylsulfonylethylsulfanyl)-N-propylpyrimidin-2-amine
CID 80883328
4-(3-bromophenyl)sulfanyl-5-chloro-N-propylpyrimidin-2-amine
CID 80888876
2-ethyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80990587
2-tert-butyl-5-methyl-N-propyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
CID 80989793
2-[5-chloro-2-(propylamino)pyrimidin-4-yl]sulfanyl-N,N-dimethylacetamide
CID 114235213
5-chloro-4-N-[(3-ethylthiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80854706
5-methyl-4-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 115384396
2-(2-chloro-5-methylpyrimidin-4-yl)sulfanyl-1,3-thiazole
CID 79073930
5-fluoro-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-propylpyrimidin-2-amine
CID 80895354

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine (CID 80886409) is 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine is CCCNc1ncc(Cl)c(Sc2nccs2)n1.
What is the InChIKey of 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine?
The InChIKey is XRWFXEDMNWSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4S2/c1-2-3-12-9-14-6-7(11)8(15-9)17-10-13-4-5-16-10/h4-6H,2-3H2,1H3,(H,12,14,15).
What are the key properties of 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine?
5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine has a molecular weight of 286.81 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-propyl-4-(1,3-thiazol-2-ylsulfanyl)pyrimidin-2-amine is sourced from PubChem (CID 80886409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).