6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H9ClF3N3O — CID 106767375

IUPAC6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCCc2ccco2)n1
InChIInChI=1S/C11H9ClF3N3O/c12-8-6-9(18-10(17-8)11(13,14)15)16-4-3-7-2-1-5-19-7/h1-2,5-6H,3-4H2,(H,16,17,18)
InChIKeyYTNNCJNTYFGOJW-UHFFFAOYSA-N
MW291.66 g/mol
LogP3.40
Rot. Bonds4

About 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106767375) has the molecular formula C11H9ClF3N3O and a molecular weight of 291.66 g/mol. Its IUPAC name is 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106767375
Molecular FormulaC11H9ClF3N3O
Molecular Weight291.66 g/mol
Exact Mass291.04
IUPAC Name6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1nc(Cl)cc(NCCc2ccco2)n1
InChIInChI=1S/C11H9ClF3N3O/c12-8-6-9(18-10(17-8)11(13,14)15)16-4-3-7-2-1-5-19-7/h1-2,5-6H,3-4H2,(H,16,17,18)
InChIKeyYTNNCJNTYFGOJW-UHFFFAOYSA-N
XLogP3.40
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.66
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80964340
N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)quinazolin-4-amine
CID 55377814
6-chloro-N-(furan-3-ylmethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106768408
2-chloro-N-(furan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460854
N-[2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]acetamide
CID 106767206
4-N-[2-(furan-2-yl)ethyl]-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80941818
6-ethoxy-N-[2-(furan-2-yl)ethyl]-2-methylpyrimidin-4-amine
CID 66327724
6-chloro-N-(2-imidazol-1-ylethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106767357
3-chloro-6-[2-(furan-2-yl)ethylamino]pyridine-2-carboxylic acid
CID 54955037
6-chloro-N-(2-chloroprop-2-enyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106195536
N-[2-(azepan-1-yl)ethyl]-6-chloro-2-(trifluoromethyl)pyrimidin-4-amine
CID 106194008

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106767375) is 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1nc(Cl)cc(NCCc2ccco2)n1.
What is the InChIKey of 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is YTNNCJNTYFGOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3N3O/c12-8-6-9(18-10(17-8)11(13,14)15)16-4-3-7-2-1-5-19-7/h1-2,5-6H,3-4H2,(H,16,17,18).
What are the key properties of 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 291.66 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(furan-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106767375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).