4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine

C6H7F3N4 — CID 115409525

IUPAC4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCC(F)F)n1
InChIInChI=1S/C6H7F3N4/c7-3-1-12-6(10)13-5(3)11-2-4(8)9/h1,4H,2H2,(H3,10,11,12,13)
InChIKeyFWNATBUHLYIVHM-UHFFFAOYSA-N
MW192.14 g/mol
LogP0.87
Rot. Bonds3

About 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine

4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine (PubChem CID 115409525) has the molecular formula C6H7F3N4 and a molecular weight of 192.14 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
PubChem CID115409525
Molecular FormulaC6H7F3N4
Molecular Weight192.14 g/mol
Exact Mass192.06
IUPAC Name4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCC(F)F)n1
InChIInChI=1S/C6H7F3N4/c7-3-1-12-6(10)13-5(3)11-2-4(8)9/h1,4H,2H2,(H3,10,11,12,13)
InChIKeyFWNATBUHLYIVHM-UHFFFAOYSA-N
XLogP0.87
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.14
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
CID 80832532
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159768
5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
CID 141388727
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 80832624
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
3-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 106311745
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
4-N-[4-(dimethylamino)butyl]-5-fluoropyrimidine-2,4-diamine
CID 80816916
2-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethoxy]ethanol
CID 80827312
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296405
4-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]phenol
CID 80798211

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine (CID 115409525) is 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine is Nc1ncc(F)c(NCC(F)F)n1.
What is the InChIKey of 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine?
The InChIKey is FWNATBUHLYIVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N4/c7-3-1-12-6(10)13-5(3)11-2-4(8)9/h1,4H,2H2,(H3,10,11,12,13).
What are the key properties of 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine?
4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine has a molecular weight of 192.14 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine is sourced from PubChem (CID 115409525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).