5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine

C11H8F4N4 — CID 141388727

IUPAC5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C11H8F4N4/c12-5-1-7(13)6(8(14)2-5)3-17-10-9(15)4-18-11(16)19-10/h1-2,4H,3H2,(H3,16,17,18,19)
InChIKeyYWYXJWVOMRWMPR-UHFFFAOYSA-N
MW272.20 g/mol
LogP2.23
Rot. Bonds3

About 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine

5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 141388727) has the molecular formula C11H8F4N4 and a molecular weight of 272.20 g/mol. Its IUPAC name is 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID141388727
Molecular FormulaC11H8F4N4
Molecular Weight272.20 g/mol
Exact Mass272.07
IUPAC Name5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
SMILESNc1ncc(F)c(NCc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C11H8F4N4/c12-5-1-7(13)6(8(14)2-5)3-17-10-9(15)4-18-11(16)19-10/h1-2,4H,3H2,(H3,16,17,18,19)
InChIKeyYWYXJWVOMRWMPR-UHFFFAOYSA-N
XLogP2.23
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
5-fluoro-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 80814214
5-fluoro-4-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80785277
4-N-[(2,4-dimethoxyphenyl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 80829199
2-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine
CID 118155241
4-[2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethyl]phenol
CID 80798211
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343
5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
CID 80832532
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]ethanesulfonamide
CID 80787091
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N,N-dimethylethanesulfonamide
CID 106343575
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine (CID 141388727) is 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine is Nc1ncc(F)c(NCc2c(F)cc(F)cc2F)n1.
What is the InChIKey of 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is YWYXJWVOMRWMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4/c12-5-1-7(13)6(8(14)2-5)3-17-10-9(15)4-18-11(16)19-10/h1-2,4H,3H2,(H3,16,17,18,19).
What are the key properties of 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine?
5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 272.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-N-[(2,4,6-trifluorophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 141388727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).