6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine

C12H8F4N4O — CID 172914409

IUPAC6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine
SMILESC=Cc1c(F)c(F)c(Oc2cc(N)nc(N)n2)c(F)c1F
InChIInChI=1S/C12H8F4N4O/c1-2-4-7(13)9(15)11(10(16)8(4)14)21-6-3-5(17)19-12(18)20-6/h2-3H,1H2,(H4,17,18,19,20)
InChIKeyLYDNOFGPYHWBMQ-UHFFFAOYSA-N
MW300.22 g/mol
LogP2.63
Rot. Bonds3

About 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine

6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine (PubChem CID 172914409) has the molecular formula C12H8F4N4O and a molecular weight of 300.22 g/mol. Its IUPAC name is 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine
PubChem CID172914409
Molecular FormulaC12H8F4N4O
Molecular Weight300.22 g/mol
Exact Mass300.06
IUPAC Name6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine
SMILESC=Cc1c(F)c(F)c(Oc2cc(N)nc(N)n2)c(F)c1F
InChIInChI=1S/C12H8F4N4O/c1-2-4-7(13)9(15)11(10(16)8(4)14)21-6-3-5(17)19-12(18)20-6/h2-3H,1H2,(H4,17,18,19,20)
InChIKeyLYDNOFGPYHWBMQ-UHFFFAOYSA-N
XLogP2.63
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.22
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-Methoxy-6-(2-prop-2-enylphenoxy)pyrimidine-2-ylamine
CID 686101
4-(2,5-Dimethylphenoxy)-6-fluoropyrimidin-2-amine
CID 695400
4-Chloro-6-(2-fluorophenoxy)pyrimidin-2-amine
CID 683987
4-N-methyl-6-[(1S)-1-phenylethoxy]pyrimidine-2,4-diamine
CID 155548365
2,6-Diamino-4-(benzyloxy)pyrimidine
CID 10130617
4-N-methyl-6-phenylmethoxypyrimidine-2,4-diamine
CID 80858380
4-N-methyl-6-phenoxypyrimidine-2,4-diamine
CID 80869080
2-Amino-4-(p-ethylphenoxy)-6-chloropyrimidine
CID 815741
4-(4-Ethylphenoxy)-6-methylpyrimidin-2-amine
CID 830665
4-{[2-(Ethylamino)-6-(trifluoromethyl)-4-pyrimidinyl]oxy}benzenecarbonitrile
CID 1483231
4-(2-Fluorophenoxy)-6-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 2218394
6-(2,3-dimethylphenoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80864262

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine (CID 172914409) is 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine is C=Cc1c(F)c(F)c(Oc2cc(N)nc(N)n2)c(F)c1F.
What is the InChIKey of 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine?
The InChIKey is LYDNOFGPYHWBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F4N4O/c1-2-4-7(13)9(15)11(10(16)8(4)14)21-6-3-5(17)19-12(18)20-6/h2-3H,1H2,(H4,17,18,19,20).
What are the key properties of 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine?
6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine has a molecular weight of 300.22 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 172914409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).