5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine

C12H18BrN3O — CID 66306278

IUPAC5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCOCC2)nc(C)c1Br
InChIInChI=1S/C12H18BrN3O/c1-3-14-12-10(13)8(2)15-11(16-12)9-4-6-17-7-5-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyRNNIRDSEORVGHC-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.87
Rot. Bonds3

About 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine

5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 66306278) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
PubChem CID66306278
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCCNc1nc(C2CCOCC2)nc(C)c1Br
InChIInChI=1S/C12H18BrN3O/c1-3-14-12-10(13)8(2)15-11(16-12)9-4-6-17-7-5-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyRNNIRDSEORVGHC-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66307264
N-ethyl-6-methyl-2-(oxan-4-yl)-5-propan-2-ylpyrimidin-4-amine
CID 62915665
5-bromo-6-tert-butyl-N-ethyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 66307213
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-(oxan-4-ylmethyl)pyrimidine-4,6-diamine
CID 80983688
5-bromo-2-cyclooctyl-N,6-diethylpyrimidin-4-amine
CID 80611219
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
5-bromo-2-cyclopentyl-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 66300703
5-bromo-N-ethyl-2-(3-ethyl-1,4-dithian-2-yl)-6-methylpyrimidin-4-amine
CID 115388571
N-[[4,6-dimethyl-2-(oxan-4-yl)pyrimidin-5-yl]methyl]propan-1-amine
CID 65334784
5-bromo-6-cyclopropyl-N-methyl-2-(oxan-4-yl)pyrimidin-4-amine
CID 66301720
N-ethyl-5-iodo-6-methyl-2-(oxan-3-yl)pyrimidin-4-amine
CID 66305719
N,5-diethyl-6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-amine
CID 65402188

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine (CID 66306278) is 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine is CCNc1nc(C2CCOCC2)nc(C)c1Br.
What is the InChIKey of 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is RNNIRDSEORVGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-3-14-12-10(13)8(2)15-11(16-12)9-4-6-17-7-5-9/h9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine?
5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 300.20 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-6-methyl-2-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66306278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).