4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C8H10F3N3O — CID 112636496

IUPAC4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-2-15-6-3-4-12-7(14-6)13-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,12,13,14)
InChIKeyROIFVZXEWMYWAC-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.85
Rot. Bonds4

About 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 112636496) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID112636496
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCCOc1ccnc(NCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-2-15-6-3-4-12-7(14-6)13-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,12,13,14)
InChIKeyROIFVZXEWMYWAC-UHFFFAOYSA-N
XLogP1.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[(4-ethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 112637987
1-[(4-ethoxypyrimidin-2-yl)amino]-2-methylbutan-2-ol
CID 112637981
4-ethoxy-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-2-amine
CID 115974989
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
4-ethoxy-N-[(4-fluorophenyl)methyl]pyrimidin-2-amine
CID 112636517
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
N-(1,3-dichloro-2-methylpropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639440
2-[(4-ethoxypyrimidin-2-yl)amino]acetic acid
CID 112635975
4-ethoxy-N-[2-(2-methoxyethoxy)ethyl]pyrimidin-2-amine
CID 112637344
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 112636496) is 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is CCOc1ccnc(NCC(F)(F)F)n1.
What is the InChIKey of 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is ROIFVZXEWMYWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-2-15-6-3-4-12-7(14-6)13-5-8(9,10)11/h3-4H,2,5H2,1H3,(H,12,13,14).
What are the key properties of 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 221.18 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 112636496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).