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

C11H11F3N4 — CID 68983868

IUPAC4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccc(C(F)(F)F)cc2)C=CN1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-3-1-7(2-4-8)10(16)5-6-17-9(15)18-10/h1-6H,16H2,(H3,15,17,18)
InChIKeyGUVWURDXPZHJDI-UHFFFAOYSA-N
MW256.23 g/mol
LogP1.25
Rot. Bonds1

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

4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine (PubChem CID 68983868) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine
PubChem CID68983868
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine
SMILESNC1=NC(N)(c2ccc(C(F)(F)F)cc2)C=CN1
InChIInChI=1S/C11H11F3N4/c12-11(13,14)8-3-1-7(2-4-8)10(16)5-6-17-9(15)18-10/h1-6H,16H2,(H3,15,17,18)
InChIKeyGUVWURDXPZHJDI-UHFFFAOYSA-N
XLogP1.25
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(Trifluoromethyl)phenyl]-1,4-dihydropyrimidine
CID 21628216
4-Phenyl-1,4-dihydropyrimidine
CID 19807438
2-Methyl-4-phenyl-1,4-dihydropyrimidine
CID 70493140
1-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-methylguanidine
CID 97051738
1-(Diaminomethylidene)-2-[1-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 18432382
6-[4-(Trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20546271
5-[4-(Trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20546401
6-[3-(Trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20546619
N-(2,2,2-trifluoro-1-phenylethyl)-1,4,5,6-tetrahydropyrimidin-2-amine
CID 20552316
1-(N'-cyclopropylcarbamimidoyl)-2-[1-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 21492867
1-(p-Trifluoromethylbenzyl)-5-i-propylbiguanide dihydrochloride
CID 21492952
1-(N'-propan-2-ylcarbamimidoyl)-2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
CID 21492953

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine (CID 68983868) is 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine is NC1=NC(N)(c2ccc(C(F)(F)F)cc2)C=CN1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine?
The InChIKey is GUVWURDXPZHJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c12-11(13,14)8-3-1-7(2-4-8)10(16)5-6-17-9(15)18-10/h1-6H,16H2,(H3,15,17,18).
What are the key properties of 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine?
4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine has a molecular weight of 256.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 68983868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).