6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

C9H9F7N4 — CID 106296239

IUPAC6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC(F)(F)C(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F7N4/c1-17-4-2-5(18-3-8(12,13)6(10)11)20-7(19-4)9(14,15)16/h2,6H,3H2,1H3,(H2,17,18,19,20)
InChIKeyCTVBICWXWFGBLU-UHFFFAOYSA-N
MW306.19 g/mol
LogP2.85
Rot. Bonds5

About 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine

6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (PubChem CID 106296239) has the molecular formula C9H9F7N4 and a molecular weight of 306.19 g/mol. Its IUPAC name is 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
PubChem CID106296239
Molecular FormulaC9H9F7N4
Molecular Weight306.19 g/mol
Exact Mass306.07
IUPAC Name6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
SMILESCNc1cc(NCC(F)(F)C(F)F)nc(C(F)(F)F)n1
InChIInChI=1S/C9H9F7N4/c1-17-4-2-5(18-3-8(12,13)6(10)11)20-7(19-4)9(14,15)16/h2,6H,3H2,1H3,(H2,17,18,19,20)
InChIKeyCTVBICWXWFGBLU-UHFFFAOYSA-N
XLogP2.85
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493
6-N-methyl-2-N-(2,2,3,3-tetrafluoropropyl)pyrazine-2,6-diamine
CID 106296079
3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propane-1,2-diol
CID 106772397
6-N-methyl-4-N-octyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772673
4-N-(2-ethoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773034
6-hydrazinyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106294412
3-[[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-1-ol
CID 106772537
4-N-(2,2-dimethylbutyl)-6-N-ethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773403
N-methyl-3-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
CID 106771575
6-N,2-dipropyl-4-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-4,6-diamine
CID 106296233
4-N-(3-butoxypropyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773058
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114169698

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine (CID 106296239) is 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is CNc1cc(NCC(F)(F)C(F)F)nc(C(F)(F)F)n1.
What is the InChIKey of 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
The InChIKey is CTVBICWXWFGBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7N4/c1-17-4-2-5(18-3-8(12,13)6(10)11)20-7(19-4)9(14,15)16/h2,6H,3H2,1H3,(H2,17,18,19,20).
What are the key properties of 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine?
6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine has a molecular weight of 306.19 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 106296239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).