5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine

C9H10FN5S — CID 80807029

IUPAC5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ncc(CNc2nc(N)ncc2F)s1
InChIInChI=1S/C9H10FN5S/c1-5-12-2-6(16-5)3-13-8-7(10)4-14-9(11)15-8/h2,4H,3H2,1H3,(H3,11,13,14,15)
InChIKeyWAIHKGFWFSCYHY-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.57
Rot. Bonds3

About 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine

5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80807029) has the molecular formula C9H10FN5S and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80807029
Molecular FormulaC9H10FN5S
Molecular Weight239.28 g/mol
Exact Mass239.06
IUPAC Name5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1ncc(CNc2nc(N)ncc2F)s1
InChIInChI=1S/C9H10FN5S/c1-5-12-2-6(16-5)3-13-8-7(10)4-14-9(11)15-8/h2,4H,3H2,1H3,(H3,11,13,14,15)
InChIKeyWAIHKGFWFSCYHY-UHFFFAOYSA-N
XLogP1.57
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-N2-(1-(5-fluoropyrimidin-2-yl)ethyl)-N6-(5-methylthiazol-2-yl)pyrazine-2,6-diamine
CID 25171662
6-chloro-2-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 80972289
5-bromo-4-N-(5-methyl-1,3-thiazol-2-yl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 49830727
2-(1,3-Thiazol-5-yl)pyrimidin-4-amine
CID 80477993
4-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-2-N,2-N,4-N-trimethylpyrimidine-2,4-diamine
CID 75421998
5-bromo-N-[(1S)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrimidin-4-amine
CID 164637491
5-Fluoro-4-hydrazino-2-methyl-6-[(1,3-thiazol-2-ylmethyl)amino]pyrimidine
CID 66935899
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-N-(4-chloro-2-methyl-1,3-thiazol-5-yl)-4-N-methyl-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 138482853
5-[[3-fluoro-3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 139500139
5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperidin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
CID 139500144

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine (CID 80807029) is 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is Cc1ncc(CNc2nc(N)ncc2F)s1.
What is the InChIKey of 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is WAIHKGFWFSCYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5S/c1-5-12-2-6(16-5)3-13-8-7(10)4-14-9(11)15-8/h2,4H,3H2,1H3,(H3,11,13,14,15).
What are the key properties of 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80807029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).