6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

C12H17F3N4O — CID 106772509

IUPAC6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2(C)CCCO2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-11(4-3-5-20-11)7-17-9-6-8(16-2)18-10(19-9)12(13,14)15/h6H,3-5,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyZIEMWPRJTLGLGW-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.52
Rot. Bonds4

About 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106772509) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106772509
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC2(C)CCCO2)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c1-11(4-3-5-20-11)7-17-9-6-8(16-2)18-10(19-9)12(13,14)15/h6H,3-5,7H2,1-2H3,(H2,16,17,18,19)
InChIKeyZIEMWPRJTLGLGW-UHFFFAOYSA-N
XLogP2.52
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-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 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106772509) is 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCC2(C)CCCO2)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is ZIEMWPRJTLGLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-11(4-3-5-20-11)7-17-9-6-8(16-2)18-10(19-9)12(13,14)15/h6H,3-5,7H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 290.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-[(2-methyloxolan-2-yl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106772509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).