5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C10H8F3N3O — CID 155799376

IUPAC5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CNc1ncc(-c2ccoc2)cn1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)6-16-9-14-3-8(4-15-9)7-1-2-17-5-7/h1-5H,6H2,(H,14,15,16)
InChIKeyWWCUNUGGRUPLGS-UHFFFAOYSA-N
MW243.19 g/mol
LogP2.71
Rot. Bonds3

About 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 155799376) has the molecular formula C10H8F3N3O and a molecular weight of 243.19 g/mol. Its IUPAC name is 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID155799376
Molecular FormulaC10H8F3N3O
Molecular Weight243.19 g/mol
Exact Mass243.06
IUPAC Name5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CNc1ncc(-c2ccoc2)cn1
InChIInChI=1S/C10H8F3N3O/c11-10(12,13)6-16-9-14-3-8(4-15-9)7-1-2-17-5-7/h1-5H,6H2,(H,14,15,16)
InChIKeyWWCUNUGGRUPLGS-UHFFFAOYSA-N
XLogP2.71
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(furan-3-yl)-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
CID 3232775
5-(furan-3-yl)-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 3232786
N-benzyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3232979
5-(furan-3-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3233460
N-(4-fluorophenyl)-5-(furan-3-yl)pyrimidin-4-amine
CID 3233619
N-cyclopropyl-5-(furan-3-yl)pyrimidin-4-amine
CID 3233771
5-(furan-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3233078
N-benzyl-2-(furan-3-yl)pyrimidin-4-amine
CID 3233094
5-(furan-3-yl)-N-phenylpyrimidin-4-amine
CID 3233479
5-(Furan-3-yl)-4-(4-methylpiperazin-1-yl)pyrimidine
CID 3235297
5-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3235456
N2-(2-furylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 2809213

Frequently Asked Questions

What is the IUPAC name of 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 155799376) is 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is FC(F)(F)CNc1ncc(-c2ccoc2)cn1.
What is the InChIKey of 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is WWCUNUGGRUPLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O/c11-10(12,13)6-16-9-14-3-8(4-15-9)7-1-2-17-5-7/h1-5H,6H2,(H,14,15,16).
What are the key properties of 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 243.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-3-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 155799376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).