4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine

C12H13F3N4 — CID 143492543

IUPAC4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(Cc2ccccc2C(F)(F)F)C=CN1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)9-4-2-1-3-8(9)7-11(17)5-6-18-10(16)19-11/h1-6H,7,17H2,(H3,16,18,19)
InChIKeyHLWRPJIUQHRQJW-UHFFFAOYSA-N
MW270.26 g/mol
LogP1.33
Rot. Bonds2

About 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine

4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine (PubChem CID 143492543) has the molecular formula C12H13F3N4 and a molecular weight of 270.26 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine
PubChem CID143492543
Molecular FormulaC12H13F3N4
Molecular Weight270.26 g/mol
Exact Mass270.11
IUPAC Name4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(Cc2ccccc2C(F)(F)F)C=CN1
InChIInChI=1S/C12H13F3N4/c13-12(14,15)9-4-2-1-3-8(9)7-11(17)5-6-18-10(16)19-11/h1-6H,7,17H2,(H3,16,18,19)
InChIKeyHLWRPJIUQHRQJW-UHFFFAOYSA-N
XLogP1.33
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 154026710
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 150949488
2-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 116795864
3-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 117103244
1-[(1,5-dichlorocyclohexa-2,4-dien-1-yl)methyl]-2-(trifluoromethyl)benzene
CID 173052202
3-[[2-(trifluoromethyl)phenyl]methylsulfanyl]pyrazin-2-amine
CID 106679214
(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 124570457
2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
CID 70118459
4-[2-(trifluoromethyl)phenyl]butan-2-amine
CID 54775947
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine (CID 143492543) is 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine is NC1=NC(N)(Cc2ccccc2C(F)(F)F)C=CN1.
What is the InChIKey of 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is HLWRPJIUQHRQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4/c13-12(14,15)9-4-2-1-3-8(9)7-11(17)5-6-18-10(16)19-11/h1-6H,7,17H2,(H3,16,18,19).
What are the key properties of 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine?
4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 270.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 143492543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).