5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine

C9H10FN5S — CID 80846466

IUPAC5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2cscn2)n1
InChIInChI=1S/C9H10FN5S/c1-11-9-13-3-7(10)8(15-9)12-2-6-4-16-5-14-6/h3-5H,2H2,1H3,(H2,11,12,13,15)
InChIKeyOLDOXADFOWLLPK-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.73
Rot. Bonds4

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

5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 80846466) has the molecular formula C9H10FN5S and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
PubChem CID80846466
Molecular FormulaC9H10FN5S
Molecular Weight239.28 g/mol
Exact Mass239.06
IUPAC Name5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2cscn2)n1
InChIInChI=1S/C9H10FN5S/c1-11-9-13-3-7(10)8(15-9)12-2-6-4-16-5-14-6/h3-5H,2H2,1H3,(H2,11,12,13,15)
InChIKeyOLDOXADFOWLLPK-UHFFFAOYSA-N
XLogP1.73
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine (CID 80846466) is 5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine is CNc1ncc(F)c(NCc2cscn2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is OLDOXADFOWLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5S/c1-11-9-13-3-7(10)8(15-9)12-2-6-4-16-5-14-6/h3-5H,2H2,1H3,(H2,11,12,13,15).
What are the key properties of 5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 239.28 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80846466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).