6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine

C7H11F3N4 — CID 59482059

IUPAC6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine
SMILESCN(C)C1=NC(C(F)(F)F)N=C(N)C1
InChIInChI=1S/C7H11F3N4/c1-14(2)5-3-4(11)12-6(13-5)7(8,9)10/h6H,3H2,1-2H3,(H2,11,12)
InChIKeyIXPPXJCCOQHZBK-UHFFFAOYSA-N
MW208.19 g/mol
LogP0.60
Rot. Bonds

About 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine

6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine (PubChem CID 59482059) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine
PubChem CID59482059
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine
SMILESCN(C)C1=NC(C(F)(F)F)N=C(N)C1
InChIInChI=1S/C7H11F3N4/c1-14(2)5-3-4(11)12-6(13-5)7(8,9)10/h6H,3H2,1-2H3,(H2,11,12)
InChIKeyIXPPXJCCOQHZBK-UHFFFAOYSA-N
XLogP0.60
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine (CID 59482059) is 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine is CN(C)C1=NC(C(F)(F)F)N=C(N)C1.
What is the InChIKey of 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine?
The InChIKey is IXPPXJCCOQHZBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-14(2)5-3-4(11)12-6(13-5)7(8,9)10/h6H,3H2,1-2H3,(H2,11,12).
What are the key properties of 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine?
6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine has a molecular weight of 208.19 g/mol, XLogP of 0.60, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-2-(trifluoromethyl)-2,5-dihydropyrimidine-4,6-diamine is sourced from PubChem (CID 59482059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).