5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4 — CID 69232399

IUPAC5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(Cc1cnc(N)nc1C(F)(F)F)C1CC1
InChIInChI=1S/C10H13F3N4/c1-17(7-2-3-7)5-6-4-15-9(14)16-8(6)10(11,12)13/h4,7H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyUWUOXCLPQHHXTJ-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.67
Rot. Bonds3

About 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine

5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 69232399) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID69232399
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC Name5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESCN(Cc1cnc(N)nc1C(F)(F)F)C1CC1
InChIInChI=1S/C10H13F3N4/c1-17(7-2-3-7)5-6-4-15-9(14)16-8(6)10(11,12)13/h4,7H,2-3,5H2,1H3,(H2,14,15,16)
InChIKeyUWUOXCLPQHHXTJ-UHFFFAOYSA-N
XLogP1.67
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 69232399) is 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is CN(Cc1cnc(N)nc1C(F)(F)F)C1CC1.
What is the InChIKey of 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UWUOXCLPQHHXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c1-17(7-2-3-7)5-6-4-15-9(14)16-8(6)10(11,12)13/h4,7H,2-3,5H2,1H3,(H2,14,15,16).
What are the key properties of 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine?
5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropyl(methyl)amino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 69232399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).