4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C8H10F3N3O2 — CID 115354935

IUPAC4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-15-5-3-6(16-2)14-7(13-5)12-4-8(9,10)11/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeyWGECCCOCJLOZPU-UHFFFAOYSA-N
MW237.18 g/mol
LogP1.47
Rot. Bonds4

About 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 115354935) has the molecular formula C8H10F3N3O2 and a molecular weight of 237.18 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID115354935
Molecular FormulaC8H10F3N3O2
Molecular Weight237.18 g/mol
Exact Mass237.07
IUPAC Name4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1cc(OC)nc(NCC(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O2/c1-15-5-3-6(16-2)14-7(13-5)12-4-8(9,10)11/h3H,4H2,1-2H3,(H,12,13,14)
InChIKeyWGECCCOCJLOZPU-UHFFFAOYSA-N
XLogP1.47
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384443
4,6-dimethoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-2-amine
CID 115355134
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]pentan-3-ol
CID 115355171
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943261
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113292960
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339
N-decyl-4,6-dimethoxypyrimidin-2-amine
CID 115355214
4,6-dimethoxy-N-(4-propan-2-yloxybutyl)pyrimidin-2-amine
CID 106012404
4,6-dimethoxy-N-[4-(2-methoxyethoxy)butyl]pyrimidin-2-amine
CID 115749068

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 115354935) is 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is COc1cc(OC)nc(NCC(F)(F)F)n1.
What is the InChIKey of 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is WGECCCOCJLOZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O2/c1-15-5-3-6(16-2)14-7(13-5)12-4-8(9,10)11/h3H,4H2,1-2H3,(H,12,13,14).
What are the key properties of 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 237.18 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 115354935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).