5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine

C8H10F4N4 — CID 80828658

IUPAC5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCCC(F)(F)F)n1
InChIInChI=1S/C8H10F4N4/c1-13-7-15-4-5(9)6(16-7)14-3-2-8(10,11)12/h4H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyZNKUDOVBNVSEBE-UHFFFAOYSA-N
MW238.19 g/mol
LogP2.02
Rot. Bonds4

About 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine

5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine (PubChem CID 80828658) has the molecular formula C8H10F4N4 and a molecular weight of 238.19 g/mol. Its IUPAC name is 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
PubChem CID80828658
Molecular FormulaC8H10F4N4
Molecular Weight238.19 g/mol
Exact Mass238.08
IUPAC Name5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine
SMILESCNc1ncc(F)c(NCCC(F)(F)F)n1
InChIInChI=1S/C8H10F4N4/c1-13-7-15-4-5(9)6(16-7)14-3-2-8(10,11)12/h4H,2-3H2,1H3,(H2,13,14,15,16)
InChIKeyZNKUDOVBNVSEBE-UHFFFAOYSA-N
XLogP2.02
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.19
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine (CID 80828658) is 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine is CNc1ncc(F)c(NCCC(F)(F)F)n1.
What is the InChIKey of 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
The InChIKey is ZNKUDOVBNVSEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4/c1-13-7-15-4-5(9)6(16-7)14-3-2-8(10,11)12/h4H,2-3H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine?
5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine has a molecular weight of 238.19 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80828658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).