N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

C10H12F3N3O — CID 60725870

IUPACN-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCCO2)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-14-9(16-8)15-6-7-2-1-5-17-7/h3-4,7H,1-2,5-6H2,(H,14,15,16)
InChIKeyQQEZRACLTOYSMF-UHFFFAOYSA-N
MW247.22 g/mol
LogP2.09
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine

N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 60725870) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID60725870
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC NameN-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NCC2CCCO2)n1
InChIInChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-14-9(16-8)15-6-7-2-1-5-17-7/h3-4,7H,1-2,5-6H2,(H,14,15,16)
InChIKeyQQEZRACLTOYSMF-UHFFFAOYSA-N
XLogP2.09
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 60725870) is N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NCC2CCCO2)n1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is QQEZRACLTOYSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c11-10(12,13)8-3-4-14-9(16-8)15-6-7-2-1-5-17-7/h3-4,7H,1-2,5-6H2,(H,14,15,16).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine?
N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 247.22 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 60725870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).