ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane

C12H21F2N3O — CID 143883720

IUPACethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane
SMILESC=C.CCc1nc(N(C)C)nc(OC)c1F.CF
InChIInChI=1S/C9H14FN3O.C2H4.CH3F/c1-5-6-7(10)8(14-4)12-9(11-6)13(2)3;2*1-2/h5H2,1-4H3;1-2H2;1H3
InChIKeyHMSIXVASNXACJV-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.64
Rot. Bonds3

About ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane

ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane (PubChem CID 143883720) has the molecular formula C12H21F2N3O and a molecular weight of 261.32 g/mol. Its IUPAC name is ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane.

Molecular Properties

Compound Nameethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane
PubChem CID143883720
Molecular FormulaC12H21F2N3O
Molecular Weight261.32 g/mol
Exact Mass261.17
IUPAC Nameethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane
SMILESC=C.CCc1nc(N(C)C)nc(OC)c1F.CF
InChIInChI=1S/C9H14FN3O.C2H4.CH3F/c1-5-6-7(10)8(14-4)12-9(11-6)13(2)3;2*1-2/h5H2,1-4H3;1-2H2;1H3
InChIKeyHMSIXVASNXACJV-UHFFFAOYSA-N
XLogP2.64
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-fluoro-4-methoxy-N,N-dimethyl-6-propylpyrimidin-2-amine
CID 143883690
5-fluoro-4,6-dimethoxy-N,N-dimethylpyrimidin-2-amine;fluoroethene
CID 143883755
4-but-3-enyl-2-(dimethylamino)-6-methoxypyrimidin-5-ol
CID 121006175
5-fluoro-2,4,6-trimethoxypyrimidine
CID 71349957
2,3-diethyl-5-methoxy-6-methylpyrazine
CID 175518795
2-ethyl-6-fluoro-3-methoxyquinoxaline
CID 134594725
3,5-difluoro-2,6-dimethoxypyridin-4-amine
CID 170648727
azane;2-N,2-N,4-N,4-N,6-N,6-N-hexamethyl-1,3,5-triazine-2,4,6-triamine
CID 159451135
4,6-diethyl-N,N-dimethyl-5-[2-(2-methylpropylamino)ethyl]pyrimidin-2-amine
CID 79218408
4,6-difluoro-N,N-dimethylpyrimidin-2-amine
CID 594438
8-ethyl-4-N,6-N,6-N-trimethyl-2-[methyl(methylamino)amino]pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 159581463
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255

Frequently Asked Questions

What is the IUPAC name of ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane?
The IUPAC name of ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane (CID 143883720) is ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane.
What is the SMILES notation for ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane?
The canonical SMILES for ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane is C=C.CCc1nc(N(C)C)nc(OC)c1F.CF.
What is the InChIKey of ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane?
The InChIKey is HMSIXVASNXACJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O.C2H4.CH3F/c1-5-6-7(10)8(14-4)12-9(11-6)13(2)3;2*1-2/h5H2,1-4H3;1-2H2;1H3.
What are the key properties of ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane?
ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane has a molecular weight of 261.32 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;4-ethyl-5-fluoro-6-methoxy-N,N-dimethylpyrimidin-2-amine;fluoromethane is sourced from PubChem (CID 143883720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).