2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine

C9H8ClFN4S — CID 79081748

IUPAC2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1csc(CNc2nc(Cl)ncc2F)n1
InChIInChI=1S/C9H8ClFN4S/c1-5-4-16-7(14-5)3-12-8-6(11)2-13-9(10)15-8/h2,4H,3H2,1H3,(H,12,13,15)
InChIKeyFXMMGCMKTRWTQH-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.65
Rot. Bonds3

About 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine

2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 79081748) has the molecular formula C9H8ClFN4S and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID79081748
Molecular FormulaC9H8ClFN4S
Molecular Weight258.71 g/mol
Exact Mass258.01
IUPAC Name2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
SMILESCc1csc(CNc2nc(Cl)ncc2F)n1
InChIInChI=1S/C9H8ClFN4S/c1-5-4-16-7(14-5)3-12-8-6(11)2-13-9(10)15-8/h2,4H,3H2,1H3,(H,12,13,15)
InChIKeyFXMMGCMKTRWTQH-UHFFFAOYSA-N
XLogP2.65
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-2-[4-methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazol-2-yl]propanenitrile
CID 130409012
5-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-4-methyl-1,3-thiazole-2-carbonitrile
CID 130419719
4-(aminomethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49778112
4-(1-aminoethyl)-N-pyrimidin-2-yl-1,3-thiazol-2-amine
CID 49791397
4-Methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
2-N,4-N,4-N-trimethyl-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 71850493
5-Fluoro-N,N-dimethyl-2-{4-[(2-methyl-1,3-thiazol-4-YL)methyl]piperazin-1-YL}pyrimidin-4-amine
CID 72900718
2-[4-(Chloromethyl)-1,3-thiazol-2-yl]pyrimidine
CID 43622191
2-(methylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)-5-pyrimidinamine
CID 23605170
2-Methyl-5-[(4-methyl-1,3-thiazol-3-ium-3-yl)methyl]pyrimidin-4-amine
CID 12513498
3-(4-Amino-2-methyl-5-pyrimidyl methyl)-4-methyl thiazolium chloride
CID 14664690
5-ethyl-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 50952187

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine (CID 79081748) is 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is Cc1csc(CNc2nc(Cl)ncc2F)n1.
What is the InChIKey of 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is FXMMGCMKTRWTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4S/c1-5-4-16-7(14-5)3-12-8-6(11)2-13-9(10)15-8/h2,4H,3H2,1H3,(H,12,13,15).
What are the key properties of 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 258.71 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79081748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).