5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine

C10H12F3N3 — CID 106217302

IUPAC5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine
SMILESCc1cnc(NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C10H12F3N3/c1-6-5-15-8(4-7(6)14)16-9(2-3-9)10(11,12)13/h4-5H,2-3H2,1H3,(H3,14,15,16)
InChIKeyBEUOCSKOTDGYEE-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.48
Rot. Bonds2

About 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine

5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine (PubChem CID 106217302) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine
PubChem CID106217302
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine
SMILESCc1cnc(NC2(C(F)(F)F)CC2)cc1N
InChIInChI=1S/C10H12F3N3/c1-6-5-15-8(4-7(6)14)16-9(2-3-9)10(11,12)13/h4-5H,2-3H2,1H3,(H3,14,15,16)
InChIKeyBEUOCSKOTDGYEE-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-methyl-1-N-[1-(trifluoromethyl)cyclopropyl]benzene-1,4-diamine
CID 114159601
3-bromo-4-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine
CID 114159603
5-tert-butyl-N-[1-(trifluoromethyl)cyclopropyl]pyridin-2-amine
CID 106215052
6-ethoxy-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,5-diamine
CID 106217282
N-[1-(trifluoromethyl)cyclopropyl]pyrazin-2-amine
CID 106214952
2-N-[4-(dimethylamino)butan-2-yl]-5-methylpyridine-2,4-diamine
CID 83265237
5-methyl-2-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-2,4-diamine
CID 106426462
6-N-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2,6-diamine
CID 106219602
6-(trifluoromethyl)-4-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2,4-diamine
CID 106219481
2-N-(4,4-dimethylcyclohexyl)-5-methylpyridine-2,4-diamine
CID 83265260
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzenesulfonamide
CID 106208577
N-(4-amino-5-methyl-2-pyridinyl)acetamide
CID 66747868

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine?
The IUPAC name of 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine (CID 106217302) is 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine.
What is the SMILES notation for 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine?
The canonical SMILES for 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine is Cc1cnc(NC2(C(F)(F)F)CC2)cc1N.
What is the InChIKey of 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine?
The InChIKey is BEUOCSKOTDGYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-6-5-15-8(4-7(6)14)16-9(2-3-9)10(11,12)13/h4-5H,2-3H2,1H3,(H3,14,15,16).
What are the key properties of 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine?
5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine has a molecular weight of 231.22 g/mol, XLogP of 2.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,4-diamine is sourced from PubChem (CID 106217302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).