N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine

C10H13F3N4 — CID 175748187

IUPACN-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCNC2)nc1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-5-16-9(17-6-8)15-4-7-1-2-14-3-7/h5-7,14H,1-4H2,(H,15,16,17)
InChIKeyPEUQWMAUPQIGTA-UHFFFAOYSA-N
MW246.24 g/mol
LogP1.52
Rot. Bonds3

About N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine

N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 175748187) has the molecular formula C10H13F3N4 and a molecular weight of 246.24 g/mol. Its IUPAC name is N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID175748187
Molecular FormulaC10H13F3N4
Molecular Weight246.24 g/mol
Exact Mass246.11
IUPAC NameN-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NCC2CCNC2)nc1
InChIInChI=1S/C10H13F3N4/c11-10(12,13)8-5-16-9(17-6-8)15-4-7-1-2-14-3-7/h5-7,14H,1-4H2,(H,15,16,17)
InChIKeyPEUQWMAUPQIGTA-UHFFFAOYSA-N
XLogP1.52
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 175748187) is N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(NCC2CCNC2)nc1.
What is the InChIKey of N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PEUQWMAUPQIGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4/c11-10(12,13)8-5-16-9(17-6-8)15-4-7-1-2-14-3-7/h5-7,14H,1-4H2,(H,15,16,17).
What are the key properties of N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine?
N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 246.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-3-ylmethyl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 175748187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).