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

C12H16FN5S — CID 80843754

IUPAC2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC(CC)c2nccs2)n1
InChIInChI=1S/C12H16FN5S/c1-3-9(11-15-5-6-19-11)17-10-8(13)7-16-12(18-10)14-4-2/h5-7,9H,3-4H2,1-2H3,(H2,14,16,17,18)
InChIKeyQZIXKUHPNWARBP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.07
Rot. Bonds6

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

2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 80843754) has the molecular formula C12H16FN5S and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
PubChem CID80843754
Molecular FormulaC12H16FN5S
Molecular Weight281.36 g/mol
Exact Mass281.11
IUPAC Name2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine
SMILESCCNc1ncc(F)c(NC(CC)c2nccs2)n1
InChIInChI=1S/C12H16FN5S/c1-3-9(11-15-5-6-19-11)17-10-8(13)7-16-12(18-10)14-4-2/h5-7,9H,3-4H2,1-2H3,(H2,14,16,17,18)
InChIKeyQZIXKUHPNWARBP-UHFFFAOYSA-N
XLogP3.07
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine (CID 80843754) is 2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine is CCNc1ncc(F)c(NC(CC)c2nccs2)n1.
What is the InChIKey of 2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is QZIXKUHPNWARBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN5S/c1-3-9(11-15-5-6-19-11)17-10-8(13)7-16-12(18-10)14-4-2/h5-7,9H,3-4H2,1-2H3,(H2,14,16,17,18).
What are the key properties of 2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine?
2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 281.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-5-fluoro-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 80843754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).