ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate

C12H14F6N4O4 — CID 7039775

IUPACethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
SMILESCCOC(=O)NC(Nc1nc(OC)cc(OC)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F6N4O4/c1-4-26-9(23)22-10(11(13,14)15,12(16,17)18)21-8-19-6(24-2)5-7(20-8)25-3/h5H,4H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyTZJPOXOAJGRKDQ-UHFFFAOYSA-N
MW392.26 g/mol
LogP2.47
Rot. Bonds6

About ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate

ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate (PubChem CID 7039775) has the molecular formula C12H14F6N4O4 and a molecular weight of 392.26 g/mol. Its IUPAC name is ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
PubChem CID7039775
Molecular FormulaC12H14F6N4O4
Molecular Weight392.26 g/mol
Exact Mass392.09
IUPAC Nameethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate
SMILESCCOC(=O)NC(Nc1nc(OC)cc(OC)n1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H14F6N4O4/c1-4-26-9(23)22-10(11(13,14)15,12(16,17)18)21-8-19-6(24-2)5-7(20-8)25-3/h5H,4H2,1-3H3,(H,22,23)(H,19,20,21)
InChIKeyTZJPOXOAJGRKDQ-UHFFFAOYSA-N
XLogP2.47
TPSA94.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[1,1,1,3,3,3-hexafluoro-2-(1,3-thiazol-2-ylamino)propan-2-yl]carbamate
CID 2264258
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-ethylbutanoic acid
CID 115354788
ethyl N-[1,1,1,3,3,3-hexafluoro-2-[2-(trifluoromethyl)anilino]propan-2-yl]carbamate
CID 2264269
2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 115354713
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
CID 115355512
ethyl 3-(4,6-dimethoxypyrimidin-2-yl)-3-oxopropanoate
CID 59864605
4,6-dimethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 115354935
2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylamino]-2-methylbutanoic acid
CID 107629350
2-ethyl-2-N-(4-methoxy-6-methylpyrimidin-2-yl)butane-1,2-diamine
CID 112634927
tert-butyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]ethyl]carbamate
CID 114518194
N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384443
diethyl (2R,3R)-2,3-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]butanedioate
CID 11038187

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate?
The IUPAC name of ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate (CID 7039775) is ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate.
What is the SMILES notation for ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate?
The canonical SMILES for ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate is CCOC(=O)NC(Nc1nc(OC)cc(OC)n1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate?
The InChIKey is TZJPOXOAJGRKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F6N4O4/c1-4-26-9(23)22-10(11(13,14)15,12(16,17)18)21-8-19-6(24-2)5-7(20-8)25-3/h5H,4H2,1-3H3,(H,22,23)(H,19,20,21).
What are the key properties of ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate?
ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate has a molecular weight of 392.26 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(4,6-dimethoxypyrimidin-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate is sourced from PubChem (CID 7039775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).