5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

C12H16BrF4N3O — CID 103476253

IUPAC5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESCCCNc1nc(COCC(F)(F)C(F)F)nc(C)c1Br
InChIInChI=1S/C12H16BrF4N3O/c1-3-4-18-10-9(13)7(2)19-8(20-10)5-21-6-12(16,17)11(14)15/h11H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyQNSGSEKUAXRNLH-UHFFFAOYSA-N
MW374.18 g/mol
LogP3.79
Rot. Bonds8

About 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine

5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (PubChem CID 103476253) has the molecular formula C12H16BrF4N3O and a molecular weight of 374.18 g/mol. Its IUPAC name is 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
PubChem CID103476253
Molecular FormulaC12H16BrF4N3O
Molecular Weight374.18 g/mol
Exact Mass373.04
IUPAC Name5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine
SMILESCCCNc1nc(COCC(F)(F)C(F)F)nc(C)c1Br
InChIInChI=1S/C12H16BrF4N3O/c1-3-4-18-10-9(13)7(2)19-8(20-10)5-21-6-12(16,17)11(14)15/h11H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyQNSGSEKUAXRNLH-UHFFFAOYSA-N
XLogP3.79
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.18
LogP ≤ 53.79
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-N-(2,2-dimethoxyethyl)-2-methylsulfanyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 146645523
(2R)-2-[[5-bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 176273264
2-[[5-Bromo-6-(difluoromethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 176900731
2,6-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 55031775
N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 62406391
2-(1-ethoxyethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998195
2-(ethoxymethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998196
N-ethyl-5-fluoro-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 65998202
N-ethyl-5-fluoro-2-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 65998399
5-fluoro-6-methyl-2-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 65998414
2-(1-ethoxyethyl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 65998608
2-(ethoxymethyl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 65998609

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine (CID 103476253) is 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is CCCNc1nc(COCC(F)(F)C(F)F)nc(C)c1Br.
What is the InChIKey of 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
The InChIKey is QNSGSEKUAXRNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF4N3O/c1-3-4-18-10-9(13)7(2)19-8(20-10)5-21-6-12(16,17)11(14)15/h11H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine?
5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine has a molecular weight of 374.18 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 103476253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).