4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H10F4N4 — CID 106770518

IUPAC4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccccc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C12H10F4N4/c13-8-4-2-1-3-7(8)6-18-10-5-9(17)19-11(20-10)12(14,15)16/h1-5H,6H2,(H3,17,18,19,20)
InChIKeyIOCTVINYPPQPCQ-UHFFFAOYSA-N
MW286.23 g/mol
LogP2.83
Rot. Bonds3

About 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106770518) has the molecular formula C12H10F4N4 and a molecular weight of 286.23 g/mol. Its IUPAC name is 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106770518
Molecular FormulaC12H10F4N4
Molecular Weight286.23 g/mol
Exact Mass286.08
IUPAC Name4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCc2ccccc2F)nc(C(F)(F)F)n1
InChIInChI=1S/C12H10F4N4/c13-8-4-2-1-3-7(8)6-18-10-5-9(17)19-11(20-10)12(14,15)16/h1-5H,6H2,(H3,17,18,19,20)
InChIKeyIOCTVINYPPQPCQ-UHFFFAOYSA-N
XLogP2.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-[(2-fluorophenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 80955396
4-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771771
4-N-[(3-bromophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771029
4-N-(1,2-oxazol-5-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106424494
6-chloro-N-[(2-fluorophenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715459
4-N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770439
4-N-[(1-methylpyrazol-3-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772704
3-[[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 106771724
2-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 106770327
4-N-[2-(4-fluorophenyl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770416
N-[(2-fluorophenyl)methyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine
CID 154583347
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2,2-difluoropropan-1-ol
CID 106179444

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106770518) is 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is Nc1cc(NCc2ccccc2F)nc(C(F)(F)F)n1.
What is the InChIKey of 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is IOCTVINYPPQPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N4/c13-8-4-2-1-3-7(8)6-18-10-5-9(17)19-11(20-10)12(14,15)16/h1-5H,6H2,(H3,17,18,19,20).
What are the key properties of 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 286.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-fluorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106770518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).