4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine

C8H9F4N3O — CID 164908260

IUPAC4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1CC(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-16-5-4(3-14-7(13)15-5)2-8(11,12)6(9)10/h3,6H,2H2,1H3,(H2,13,14,15)
InChIKeyUHXNKPNGNJXRKS-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.51
Rot. Bonds4

About 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine

4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine (PubChem CID 164908260) has the molecular formula C8H9F4N3O and a molecular weight of 239.17 g/mol. Its IUPAC name is 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
PubChem CID164908260
Molecular FormulaC8H9F4N3O
Molecular Weight239.17 g/mol
Exact Mass239.07
IUPAC Name4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1CC(F)(F)C(F)F
InChIInChI=1S/C8H9F4N3O/c1-16-5-4(3-14-7(13)15-5)2-8(11,12)6(9)10/h3,6H,2H2,1H3,(H2,13,14,15)
InChIKeyUHXNKPNGNJXRKS-UHFFFAOYSA-N
XLogP1.51
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,4-Dimethoxy-5-(nonafluorobutyl)pyrimidine
CID 125484246
2-Chloro-5-(2-fluoroethyl)-4-methoxypyrimidine
CID 57396909
2,4-Dimethoxy-5-(3-methylbut-2-enyl)pyrimidine
CID 121222316
2,4-Diethoxy-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrimidine
CID 86220862
5-(2-Fluoroethyl)-2,4-dimethoxypyrimidine
CID 91619481
5-(1,1,2,2,3,3,3-Heptafluoropropyl)-2,4-dimethoxypyrimidine
CID 23264522
2-(Difluoromethyl)-5-ethyl-4-methoxypyrimidine
CID 121355359
4-Methoxy-5-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 164907832
5-(1,1-Difluoroethyl)-4-methoxypyrimidin-2-amine
CID 164907865
5-(2,2-Difluoropropyl)-4,6-dimethoxypyrimidin-2-amine
CID 164907912
2-Chloro-5-(1,1-difluoroethyl)-4-methoxypyrimidine
CID 164907920
5-(2,2-Difluoroethyl)-4-methoxypyrimidin-2-amine
CID 164907938

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine (CID 164908260) is 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine is COc1nc(N)ncc1CC(F)(F)C(F)F.
What is the InChIKey of 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
The InChIKey is UHXNKPNGNJXRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3O/c1-16-5-4(3-14-7(13)15-5)2-8(11,12)6(9)10/h3,6H,2H2,1H3,(H2,13,14,15).
What are the key properties of 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine?
4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine has a molecular weight of 239.17 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(2,2,3,3-tetrafluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 164908260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).