N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

C10H15F3N4O — CID 107494209

IUPACN'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOc1cc(C)nc(N(CCN)CC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-7-5-8(18-2)16-9(15-7)17(4-3-14)6-10(11,12)13/h5H,3-4,6,14H2,1-2H3
InChIKeyVQDSVHRLOCZCFY-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.12
Rot. Bonds5

About N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine

N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (PubChem CID 107494209) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
PubChem CID107494209
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC NameN'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
SMILESCOc1cc(C)nc(N(CCN)CC(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-7-5-8(18-2)16-9(15-7)17(4-3-14)6-10(11,12)13/h5H,3-4,6,14H2,1-2H3
InChIKeyVQDSVHRLOCZCFY-UHFFFAOYSA-N
XLogP1.12
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine (CID 107494209) is N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is COc1cc(C)nc(N(CCN)CC(F)(F)F)n1.
What is the InChIKey of N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
The InChIKey is VQDSVHRLOCZCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-7-5-8(18-2)16-9(15-7)17(4-3-14)6-10(11,12)13/h5H,3-4,6,14H2,1-2H3.
What are the key properties of N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine?
N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine has a molecular weight of 264.25 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-methoxy-6-methylpyrimidin-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine is sourced from PubChem (CID 107494209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).