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

C9H10FN5S — CID 80807557

IUPAC5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1csc(CNc2nc(N)ncc2F)n1
InChIInChI=1S/C9H10FN5S/c1-5-4-16-7(14-5)3-12-8-6(10)2-13-9(11)15-8/h2,4H,3H2,1H3,(H3,11,12,13,15)
InChIKeySTRJCAAYCHJODZ-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.57
Rot. Bonds3

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

5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80807557) has the molecular formula C9H10FN5S and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80807557
Molecular FormulaC9H10FN5S
Molecular Weight239.28 g/mol
Exact Mass239.06
IUPAC Name5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCc1csc(CNc2nc(N)ncc2F)n1
InChIInChI=1S/C9H10FN5S/c1-5-4-16-7(14-5)3-12-8-6(10)2-13-9(11)15-8/h2,4H,3H2,1H3,(H3,11,12,13,15)
InChIKeySTRJCAAYCHJODZ-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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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 80807557) is 5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine is Cc1csc(CNc2nc(N)ncc2F)n1.
What is the InChIKey of 5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is STRJCAAYCHJODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5S/c1-5-4-16-7(14-5)3-12-8-6(10)2-13-9(11)15-8/h2,4H,3H2,1H3,(H3,11,12,13,15).
What are the key properties of 5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[(4-methyl-1,3-thiazol-2-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-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80807557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).