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

C10H12FN5S — CID 80808133

IUPAC5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2csc(C)n2)n1
InChIInChI=1S/C10H12FN5S/c1-6-15-7(5-17-6)3-13-9-8(11)4-14-10(12-2)16-9/h4-5H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyMLZSOULIEIZVRD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.03
Rot. Bonds4

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

5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 80808133) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID80808133
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCc2csc(C)n2)n1
InChIInChI=1S/C10H12FN5S/c1-6-15-7(5-17-6)3-13-9-8(11)4-14-10(12-2)16-9/h4-5H,3H2,1-2H3,(H2,12,13,14,16)
InChIKeyMLZSOULIEIZVRD-UHFFFAOYSA-N
XLogP2.03
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.03
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-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 80808133) is 5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is CNc1ncc(F)c(NCc2csc(C)n2)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is MLZSOULIEIZVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c1-6-15-7(5-17-6)3-13-9-8(11)4-14-10(12-2)16-9/h4-5H,3H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 2.03, 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-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80808133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).