5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine

C10H13BrF3N3O — CID 103837672

IUPAC5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
SMILESCOc1nc(NCCCCC(F)(F)F)ncc1Br
InChIInChI=1S/C10H13BrF3N3O/c1-18-8-7(11)6-16-9(17-8)15-5-3-2-4-10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17)
InChIKeyZPRNWIHKFIDCQQ-UHFFFAOYSA-N
MW328.13 g/mol
LogP3.39
Rot. Bonds6

About 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine

5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine (PubChem CID 103837672) has the molecular formula C10H13BrF3N3O and a molecular weight of 328.13 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
PubChem CID103837672
Molecular FormulaC10H13BrF3N3O
Molecular Weight328.13 g/mol
Exact Mass327.02
IUPAC Name5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine
SMILESCOc1nc(NCCCCC(F)(F)F)ncc1Br
InChIInChI=1S/C10H13BrF3N3O/c1-18-8-7(11)6-16-9(17-8)15-5-3-2-4-10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17)
InChIKeyZPRNWIHKFIDCQQ-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.13
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Bromo-4-methoxypyrimidine
CID 12270081
5-Bromo-2,4-dimethoxypyrimidine
CID 255719
5-Bromo-4-methoxy-2-(piperazin-1-yl)pyrimidine
CID 16414240
5-Bromo-2-chloro-4-methoxypyrimidine
CID 3663143
2-Amino-5-bromo-4-methoxypyrimidine
CID 45036937
2-Bromo-5-fluoro-4-methoxypyrimidine
CID 130649827
5-Fluoro-4-methoxypyrimidin-2-amine
CID 45080519
5-Bromo-4-(2,2,2-trifluoroethoxy)pyrimidin-2-amine
CID 60155907
5-Bromo-2,4-diethoxypyrimidine
CID 14776516
5-Bromo-2,4-bis-(4,4,4-trifluorobutoxy)pyrimidine
CID 21114627
5-Bromo-2-chloro-4-(4,4,4-trifluorobutoxy)pyrimidine
CID 21114629
N-ethyl-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 68165142

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine (CID 103837672) is 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine is COc1nc(NCCCCC(F)(F)F)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
The InChIKey is ZPRNWIHKFIDCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrF3N3O/c1-18-8-7(11)6-16-9(17-8)15-5-3-2-4-10(12,13)14/h6H,2-5H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine?
5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine has a molecular weight of 328.13 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-(5,5,5-trifluoropentyl)pyrimidin-2-amine is sourced from PubChem (CID 103837672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).