4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine

C9H10F6N4O — CID 102723665

IUPAC4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine
SMILESCCNc1cc(OC(C(F)(F)F)C(F)(F)F)nc(N)n1
InChIInChI=1S/C9H10F6N4O/c1-2-17-4-3-5(19-7(16)18-4)20-6(8(10,11)12)9(13,14)15/h3,6H,2H2,1H3,(H3,16,17,18,19)
InChIKeyGQKRDARXXVBLNR-UHFFFAOYSA-N
MW304.19 g/mol
LogP2.36
Rot. Bonds4

About 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine

4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine (PubChem CID 102723665) has the molecular formula C9H10F6N4O and a molecular weight of 304.19 g/mol. Its IUPAC name is 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine
PubChem CID102723665
Molecular FormulaC9H10F6N4O
Molecular Weight304.19 g/mol
Exact Mass304.08
IUPAC Name4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine
SMILESCCNc1cc(OC(C(F)(F)F)C(F)(F)F)nc(N)n1
InChIInChI=1S/C9H10F6N4O/c1-2-17-4-3-5(19-7(16)18-4)20-6(8(10,11)12)9(13,14)15/h3,6H,2H2,1H3,(H3,16,17,18,19)
InChIKeyGQKRDARXXVBLNR-UHFFFAOYSA-N
XLogP2.36
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-ethyl-6-(trifluoromethoxy)pyrimidine-2,4-diamine
CID 23358672
6-ethoxy-4-N-ethylpyrimidine-2,4-diamine
CID 80858129
4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
CID 80862136
N,2-diethyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942175
6-(4-tert-butylphenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80867343
6-(3,4-difluorophenoxy)-4-N-ethylpyrimidine-2,4-diamine
CID 80874134
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-N-ethyl-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]pyrimidine-2,4-diamine
CID 103176372
4-N-ethyl-6-(3-fluorophenoxy)pyrimidine-2,4-diamine
CID 80870028
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
CID 80870965
6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
CID 83146706

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine (CID 102723665) is 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine is CCNc1cc(OC(C(F)(F)F)C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine?
The InChIKey is GQKRDARXXVBLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N4O/c1-2-17-4-3-5(19-7(16)18-4)20-6(8(10,11)12)9(13,14)15/h3,6H,2H2,1H3,(H3,16,17,18,19).
What are the key properties of 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine?
4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine has a molecular weight of 304.19 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 102723665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).