2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

C9H10F5N3O — CID 80878385

IUPAC2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H10F5N3O/c1-4-6(15)16-5(2)17-7(4)18-3-8(10,11)9(12,13)14/h3H2,1-2H3,(H2,15,16,17)
InChIKeyVAFPTWLTGXOYJX-UHFFFAOYSA-N
MW271.19 g/mol
LogP2.25
Rot. Bonds3

About 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine

2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (PubChem CID 80878385) has the molecular formula C9H10F5N3O and a molecular weight of 271.19 g/mol. Its IUPAC name is 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
PubChem CID80878385
Molecular FormulaC9H10F5N3O
Molecular Weight271.19 g/mol
Exact Mass271.07
IUPAC Name2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine
SMILESCc1nc(N)c(C)c(OCC(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H10F5N3O/c1-4-6(15)16-5(2)17-7(4)18-3-8(10,11)9(12,13)14/h3H2,1-2H3,(H2,15,16,17)
InChIKeyVAFPTWLTGXOYJX-UHFFFAOYSA-N
XLogP2.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 52.25
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

4-Fluoro-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
CID 13379302
2,4-Diethoxy-5,6-difluoropyrimidine
CID 134912746
4-Amino-6-(2-hydroxyethoxy)-2-methylpyrimidine-5-carbonitrile
CID 129933461
4,6-Diethoxy-2,5-dimethylpyrimidine
CID 60096147
6-Methoxy-2-methyl-5-(trifluoromethyl)pyrimidin-4-amine
CID 13379306
4-Fluoro-6-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 15590750
4-Hydrazino-6-methoxy-2-methyl-5-(trifluoromethyl)pyrimidine
CID 18544800
6-(2,2,3,3-Tetrafluoropropoxy)pyrimidine-2,4-diamine
CID 57003761
2-Methyl-4,6-bis(2,2,2-trifluoroethoxy)pyrimidine
CID 117891032
6-(2,2-Difluoropropoxy)-5-fluoropyrimidin-4-amine
CID 123161731
4,6-Diethoxy-2-fluoro-5-methylpyrimidine
CID 129239001
2-Methyl-4-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 162620662

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The IUPAC name of 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine (CID 80878385) is 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The canonical SMILES for 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is Cc1nc(N)c(C)c(OCC(F)(F)C(F)(F)F)n1.
What is the InChIKey of 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
The InChIKey is VAFPTWLTGXOYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F5N3O/c1-4-6(15)16-5(2)17-7(4)18-3-8(10,11)9(12,13)14/h3H2,1-2H3,(H2,15,16,17).
What are the key properties of 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine?
2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine has a molecular weight of 271.19 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(2,2,3,3,3-pentafluoropropoxy)pyrimidin-4-amine is sourced from PubChem (CID 80878385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).