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

C10H12FN5S — CID 80837710

IUPAC5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCCC(Nc1nc(N)ncc1F)c1nccs1
InChIInChI=1S/C10H12FN5S/c1-2-7(9-13-3-4-17-9)15-8-6(11)5-14-10(12)16-8/h3-5,7H,2H2,1H3,(H3,12,14,15,16)
InChIKeyUOUSGJJYZLAJAD-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.22
Rot. Bonds4

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

5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 80837710) has the molecular formula C10H12FN5S and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
PubChem CID80837710
Molecular FormulaC10H12FN5S
Molecular Weight253.31 g/mol
Exact Mass253.08
IUPAC Name5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCCC(Nc1nc(N)ncc1F)c1nccs1
InChIInChI=1S/C10H12FN5S/c1-2-7(9-13-3-4-17-9)15-8-6(11)5-14-10(12)16-8/h3-5,7H,2H2,1H3,(H3,12,14,15,16)
InChIKeyUOUSGJJYZLAJAD-UHFFFAOYSA-N
XLogP2.22
TPSA76.72 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 ≤ 52.22
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-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine (CID 80837710) is 5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine is CCC(Nc1nc(N)ncc1F)c1nccs1.
What is the InChIKey of 5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is UOUSGJJYZLAJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN5S/c1-2-7(9-13-3-4-17-9)15-8-6(11)5-14-10(12)16-8/h3-5,7H,2H2,1H3,(H3,12,14,15,16).
What are the key properties of 5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80837710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).