6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

C11H13ClN4S2 — CID 80547131

IUPAC6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCc2nc(C)cs2)n1
InChIInChI=1S/C11H13ClN4S2/c1-7-6-18-10(14-7)3-4-13-9-5-8(12)15-11(16-9)17-2/h5-6H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyHUIQLXKIJRIJTG-UHFFFAOYSA-N
MW300.84 g/mol
LogP3.27
Rot. Bonds5

About 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine

6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (PubChem CID 80547131) has the molecular formula C11H13ClN4S2 and a molecular weight of 300.84 g/mol. Its IUPAC name is 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
PubChem CID80547131
Molecular FormulaC11H13ClN4S2
Molecular Weight300.84 g/mol
Exact Mass300.03
IUPAC Name6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
SMILESCSc1nc(Cl)cc(NCCc2nc(C)cs2)n1
InChIInChI=1S/C11H13ClN4S2/c1-7-6-18-10(14-7)3-4-13-9-5-8(12)15-11(16-9)17-2/h5-6H,3-4H2,1-2H3,(H,13,15,16)
InChIKeyHUIQLXKIJRIJTG-UHFFFAOYSA-N
XLogP3.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.84
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-methylsulfanyl-N-(2-phenylethyl)pyrimidin-4-amine
CID 71671580
N-[2-(5-bromothiophen-2-yl)ethyl]-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 114139531
4-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 78929804
6-chloro-2-methylsulfanyl-N-[(3-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80545855
6-chloro-N-[2-(1H-imidazol-2-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106196856
6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106195075
2-methylsulfanyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80893301
6-chloro-N-(2-cyclopropylethyl)-2-methylsulfanylpyrimidin-4-amine
CID 80547230
2-chloro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridin-4-amine
CID 103756472
3-chloro-4-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]aniline
CID 94280499
2-methylsulfanyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80828387
3-[(6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]propanamide
CID 80545317

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine (CID 80547131) is 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is CSc1nc(Cl)cc(NCCc2nc(C)cs2)n1.
What is the InChIKey of 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
The InChIKey is HUIQLXKIJRIJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4S2/c1-7-6-18-10(14-7)3-4-13-9-5-8(12)15-11(16-9)17-2/h5-6H,3-4H2,1-2H3,(H,13,15,16).
What are the key properties of 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine has a molecular weight of 300.84 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 80547131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).