5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

C11H14BrF4N3O — CID 103476292

IUPAC5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(COCC(F)(F)C(F)F)nc(N)c1Br
InChIInChI=1S/C11H14BrF4N3O/c1-5(2)8-7(12)9(17)19-6(18-8)3-20-4-11(15,16)10(13)14/h5,10H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyCQSMJWPCQRKFQN-UHFFFAOYSA-N
MW360.15 g/mol
LogP3.36
Rot. Bonds6

About 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (PubChem CID 103476292) has the molecular formula C11H14BrF4N3O and a molecular weight of 360.15 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
PubChem CID103476292
Molecular FormulaC11H14BrF4N3O
Molecular Weight360.15 g/mol
Exact Mass359.03
IUPAC Name5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESCC(C)c1nc(COCC(F)(F)C(F)F)nc(N)c1Br
InChIInChI=1S/C11H14BrF4N3O/c1-5(2)8-7(12)9(17)19-6(18-8)3-20-4-11(15,16)10(13)14/h5,10H,3-4H2,1-2H3,(H2,17,18,19)
InChIKeyCQSMJWPCQRKFQN-UHFFFAOYSA-N
XLogP3.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.15
LogP ≤ 53.36
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

5-bromo-2-(methoxymethyl)-6-propan-2-ylpyrimidin-4-amine
CID 66300683
5-iodo-6-(2-methylpropyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476348
5-bromo-N-ethyl-6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidin-4-amine
CID 103476295
4-amino-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxamide
CID 103477251
6-cyclopropyl-5-iodo-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
CID 103476333
ethyl 4-amino-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine-5-carboxylate
CID 103477235
2-methyl-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103472963
3-methyl-1-[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103473064
4,6-dichloro-5-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473554
4-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1,3-thiazole-5-carboxylic acid
CID 103473433
N-[[3-(2,2,3,3-tetrafluoropropoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 103473078
4-chloro-5-iodo-6-methyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidine
CID 103473568

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (CID 103476292) is 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is CC(C)c1nc(COCC(F)(F)C(F)F)nc(N)c1Br.
What is the InChIKey of 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The InChIKey is CQSMJWPCQRKFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrF4N3O/c1-5(2)8-7(12)9(17)19-6(18-8)3-20-4-11(15,16)10(13)14/h5,10H,3-4H2,1-2H3,(H2,17,18,19).
What are the key properties of 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine has a molecular weight of 360.15 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).