6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C10H10ClFN4S2 — CID 86637012

IUPAC6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)c(F)c(N(C)Cc2nccs2)n1
InChIInChI=1S/C10H10ClFN4S2/c1-16(5-6-13-3-4-18-6)9-7(12)8(11)14-10(15-9)17-2/h3-4H,5H2,1-2H3
InChIKeyLWSKFSXVJWTGNW-UHFFFAOYSA-N
MW304.80 g/mol
LogP3.08
Rot. Bonds4

About 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 86637012) has the molecular formula C10H10ClFN4S2 and a molecular weight of 304.80 g/mol. Its IUPAC name is 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID86637012
Molecular FormulaC10H10ClFN4S2
Molecular Weight304.80 g/mol
Exact Mass304.00
IUPAC Name6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCSc1nc(Cl)c(F)c(N(C)Cc2nccs2)n1
InChIInChI=1S/C10H10ClFN4S2/c1-16(5-6-13-3-4-18-6)9-7(12)8(11)14-10(15-9)17-2/h3-4H,5H2,1-2H3
InChIKeyLWSKFSXVJWTGNW-UHFFFAOYSA-N
XLogP3.08
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.80
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-N,4-N,5-trimethyl-2-N,4-N-bis(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine
CID 71857717
2-chloro-5-fluoro-6-[(1,3-thiazol-2-ylmethyl)amino]-4(1H)-pyrimidinone hydrazone
CID 66936123
5-fluoro-6-hydrazino-N-methyl-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 66936247
2-[[4-[2-(Trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1,3-thiazole
CID 69327559
2-chloro-5-fluoro-6-hydrazino-N-methyl-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637003
6-chloro-5-fluoro-2-(methylthio)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637013
5-fluoro-2-(methylthio)-6-[(1,3-thiazol-2-ylmethyl)amino]-4(1H)-pyrimidinone hydrazone
CID 86637014
2-chloro-5-fluoro-6-hydrazino-N-(4-methyl-1-piperazinyl)-N-(1,3-thiazol-2-ylmethyl)-4-pyrimidinamine
CID 86637032
2-(4,6-Dichloro-5-fluoropyrimidin-2-yl)-1,3-thiazole
CID 104077722
5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 141304002
2-(5-Fluoropyrimidin-2-yl)-1,3-thiazole
CID 173533663
5-fluoro-N~4~,N~4~-dimethyl-N~2~-[1-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 72940191

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 86637012) is 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CSc1nc(Cl)c(F)c(N(C)Cc2nccs2)n1.
What is the InChIKey of 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is LWSKFSXVJWTGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4S2/c1-16(5-6-13-3-4-18-6)9-7(12)8(11)14-10(15-9)17-2/h3-4H,5H2,1-2H3.
What are the key properties of 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 304.80 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-N-methyl-2-methylsulfanyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 86637012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).