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

C9H8ClFN4S — CID 79075900

IUPAC2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncsc1CNc1nc(Cl)ncc1F
InChIInChI=1S/C9H8ClFN4S/c1-5-7(16-4-14-5)3-12-8-6(11)2-13-9(10)15-8/h2,4H,3H2,1H3,(H,12,13,15)
InChIKeyLDSGKDDATACIKU-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.65
Rot. Bonds3

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

2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (PubChem CID 79075900) 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-5-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
PubChem CID79075900
Molecular FormulaC9H8ClFN4S
Molecular Weight258.71 g/mol
Exact Mass258.01
IUPAC Name2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
SMILESCc1ncsc1CNc1nc(Cl)ncc1F
InChIInChI=1S/C9H8ClFN4S/c1-5-7(16-4-14-5)3-12-8-6(11)2-13-9(10)15-8/h2,4H,3H2,1H3,(H,12,13,15)
InChIKeyLDSGKDDATACIKU-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

5-[(4,5-Dimethyl-1,3-thiazol-3-ium-3-yl)methyl]-2-methylpyrimidin-4-amine;chloride;hydrochloride
CID 16192546
Dimethialium
CID 161140
3-(4-Amino-2-methyl-5-pyrimidyl methyl)-4-methyl thiazolium chloride
CID 14664690
5-fluoro-N~4~,N~4~-dimethyl-N~2~-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 72871873
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 72936462
5-bromo-2-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 86817548
2-N-(2,4-dimethyl-1,3-thiazol-5-yl)-4-N-ethyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 130419730
4-tert-butyl-N-(2-chloro-5-fluoropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 152559154
4-Methyl-5-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-thiazole-2-carbonitrile
CID 156449161
2-Methyl-5-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
CID 63020197
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 63319324
2-chloro-5-fluoro-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 79075468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine (CID 79075900) is 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine is Cc1ncsc1CNc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine?
The InChIKey is LDSGKDDATACIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4S/c1-5-7(16-4-14-5)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-5-yl)methyl]pyrimidin-4-amine?
2-chloro-5-fluoro-N-[(4-methyl-1,3-thiazol-5-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-5-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 79075900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).